
 CHEMBL3718178

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.0173   -1.8446   -0.5657 C   0  0  0  0  0
   -1.0541   -1.1201   -1.0729 C   0  0  0  0  0
   -0.9695    0.2690   -1.1903 C   0  0  0  0  0
    0.1929    0.9558   -0.8165 C   0  0  0  0  0
    1.3101    0.2090   -0.3597 C   0  0  0  0  0
    1.1929   -1.1857   -0.2049 C   0  0  0  0  0
    2.6015    0.9054   -0.0198 C   0  0  0  0  0
    2.5643    2.1065    0.2386 O   0  0  0  0  0
    3.7546    0.1378   -0.0848 N   0  0  0  0  0
    5.0777    0.5579    0.1862 C   0  0  0  0  0
    5.4234    1.8468    0.5943 C   0  0  0  0  0
    6.7587    2.1877    0.8285 C   0  0  0  0  0
    7.7652    1.2389    0.6674 C   0  0  0  0  0
    7.4444   -0.0646    0.2707 C   0  0  0  0  0
    6.0963   -0.3927    0.0310 C   0  0  0  0  0
    8.5136   -1.1148    0.1040 C   0  0  0  0  0
    8.3414   -2.1669    0.9517 F   0  0  0  0  0
    8.5265   -1.6465   -1.1499 F   0  0  0  0  0
    9.7754   -0.6553    0.3286 F   0  0  0  0  0
    0.2757    2.3711   -0.8858 N   0  0  0  0  0
   -0.7441    3.2761   -1.0997 C   0  0  0  0  0
   -1.9327    3.0212   -1.2514 O   0  0  0  0  0
   -0.3325    4.6986   -1.0971 C   0  0  0  0  0
   -1.2127    5.6517   -0.6002 C   0  0  0  0  0
   -0.9430    6.9811   -0.5607 N   0  0  0  0  0
    0.2502    7.3721   -1.0586 C   0  0  0  0  0
    1.1873    6.4985   -1.5902 C   0  0  0  0  0
    0.8911    5.1365   -1.6087 C   0  0  0  0  0
   -0.0672   -2.9222   -0.4463 H   0  0  0  0  0
   -1.9712   -1.6279   -1.3637 H   0  0  0  0  0
   -1.8373    0.7920   -1.5827 H   0  0  0  0  0
    1.9915   -1.7829    0.2242 H   0  0  0  0  0
    3.6682   -0.8105   -0.4230 H   0  0  0  0  0
    4.6779    2.6215    0.7407 H   0  0  0  0  0
    7.0078    3.1998    1.1395 H   0  0  0  0  0
    8.7997    1.5225    0.8564 H   0  0  0  0  0
    5.8562   -1.4093   -0.2768 H   0  0  0  0  0
    1.1674    2.7520   -0.5605 H   0  0  0  0  0
   -2.1841    5.3688   -0.2015 H   0  0  0  0  0
    0.4377    8.4419   -1.0238 H   0  0  0  0  0
    2.1243    6.8721   -1.9887 H   0  0  0  0  0
    1.6033    4.4406   -2.0423 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 32  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 37  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 39  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 40  1  0  0  0
 27 28  2  0  0  0
 27 41  1  0  0  0
 28 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3718178

>  <PubChem CID>
56593303

>  <Formula>
C20H14F3N3O2

>  <Molecular Weight>
385.346000

>  <IUPAC Name>
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CN=CC=C3

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CN=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H14F3N3O2/c21-20(22,23)14-6-3-7-15(11-14)25-19(28)16-8-1-2-9-17(16)26-18(27)13-5-4-10-24-12-13/h1-12H,(H,25,28)(H,26,27)

>  <InChI Key>
CABLZLANVVFNQB-UHFFFAOYSA-N

