
 CHEMBL3938817

 46 48  0  0  0  0  0  0  0  0999 V2000
   -1.7639   -0.9101    1.8779 C   0  0  0  0  0
   -0.5871   -0.0242    2.1901 C   0  0  0  0  0
    0.7370   -0.3196    1.7911 C   0  0  0  0  0
    1.7956    0.5387    2.1678 C   0  0  0  0  0
    1.5146    1.6780    2.9400 C   0  0  0  0  0
    0.2113    1.9802    3.3162 C   0  0  0  0  0
   -0.8321    1.1398    2.9399 C   0  0  0  0  0
    3.2212    0.2921    1.7552 C   0  0  0  0  0
    1.0453   -1.4909    1.0517 N   0  0  0  0  0
    1.5484   -2.6503    1.7542 C   0  0  0  0  0
    1.6284   -3.7207    0.6888 C   0  0  0  0  0
    0.5707   -3.3358   -0.3364 C   0  0  0  0  0
    0.3861   -1.8551   -0.1234 C   0  0  0  0  0
   -0.2190   -1.1289   -0.8969 O   0  0  0  0  0
    3.0335   -3.8647    0.1172 C   0  0  0  0  0
    3.7344   -4.7991    0.5017 O   0  0  0  0  0
    3.4360   -2.8791   -0.7662 N   0  0  0  0  0
    4.6131   -2.8789   -1.5526 C   0  0  0  0  0
    4.8792   -1.7386   -2.3179 C   0  0  0  0  0
    6.0172   -1.6825   -3.1254 C   0  0  0  0  0
    6.8990   -2.7585   -3.1912 C   0  0  0  0  0
    6.6443   -3.9133   -2.4428 C   0  0  0  0  0
    5.4965   -3.9622   -1.6295 C   0  0  0  0  0
    7.5650   -5.1077   -2.5069 C   0  0  0  0  0
    8.0131   -5.4908   -1.2804 F   0  0  0  0  0
    6.9595   -6.2011   -3.0473 F   0  0  0  0  0
    8.6799   -4.8910   -3.2584 F   0  0  0  0  0
    6.3346   -0.2676   -4.0535 Cl  0  0  0  0  0
   -1.5388   -1.9540    2.1151 H   0  0  0  0  0
   -2.0529   -0.8186    0.8285 H   0  0  0  0  0
   -2.6395   -0.6356    2.4788 H   0  0  0  0  0
    2.3166    2.3508    3.2403 H   0  0  0  0  0
    0.0057    2.8728    3.9025 H   0  0  0  0  0
   -1.8438    1.3927    3.2478 H   0  0  0  0  0
    3.2793    0.0352    0.6928 H   0  0  0  0  0
    3.6606   -0.5105    2.3536 H   0  0  0  0  0
    3.8371    1.1871    1.8976 H   0  0  0  0  0
    0.8172   -2.9350    2.5218 H   0  0  0  0  0
    2.5075   -2.4423    2.2331 H   0  0  0  0  0
    1.3824   -4.7036    1.1130 H   0  0  0  0  0
    0.8688   -3.5423   -1.3680 H   0  0  0  0  0
   -0.3831   -3.8288   -0.1223 H   0  0  0  0  0
    2.8530   -2.0543   -0.8569 H   0  0  0  0  0
    4.2062   -0.8840   -2.2940 H   0  0  0  0  0
    7.7801   -2.6992   -3.8276 H   0  0  0  0  0
    5.3140   -4.8785   -1.0737 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 28  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 46  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3938817

>  <PubChem CID>
68365603

>  <Formula>
C20H18ClF3N2O2

>  <Molecular Weight>
410.821000

>  <IUPAC Name>
N-[3-chloro-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)Cl

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)Cl

>  <InChI Std. ID>
InChI=1S/C20H18ClF3N2O2/c1-11-4-3-5-12(2)18(11)26-10-13(6-17(26)27)19(28)25-16-8-14(20(22,23)24)7-15(21)9-16/h3-5,7-9,13H,6,10H2,1-2H3,(H,25,28)

>  <InChI Key>
IHPQLENVEXBFBB-UHFFFAOYSA-N

