Molecule FYI-1005866

A

Molecule Summary:

ID: FYI-1005866
Names:
InChIKey: DXJBTLKNBZNICB-UHFFFAOYSA-N
SMILES: CN1C(=O)NCC1C(=O)NCc2c(F)cc(Cl)cc2Cl

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005866 Edit

Molecule Structure InChIKey: DXJBTLKNBZNICB-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C(=O)NCC1C(=O)NCc2c(F)cc(Cl)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005866
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.5930    0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0624    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.8624    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005866-3D
FYIcenter.com

 32 33  0     1  0  0  0  0  0999 V2000
   -2.4238   -2.4693    1.5372 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2024    2.0919    0.8721 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909    0.7538   -2.3027 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3501    0.2172   -1.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9520    1.7038    0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525   -0.2667   -0.0250 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230    1.3528    1.4526 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3221   -1.5410   -0.1685 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317   -0.7227    0.6121 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2232    0.2649    1.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295   -0.6195   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    1.0121    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345   -1.0286   -1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654   -1.6331   -0.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549   -0.7218   -0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079   -1.0264    0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072    0.4519   -1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7130   -0.1571    1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2124    1.3211   -0.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9653    1.0167    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602   -1.7492    0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    0.6487    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5367   -0.1604    2.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1676    2.2208    1.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866   -2.0132   -0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2489   -0.5138   -1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786   -1.1412   -1.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3941   -2.1707    0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1975   -2.6771   -0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5921   -1.4017   -2.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3008   -0.3926    1.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3973    2.2322   -1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1456👍, 0💬