
 CHEMBL3951255

 46 48  0  0  0  0  0  0  0  0999 V2000
   -0.9910   -4.6987    3.8078 C   0  0  0  0  0
   -1.2626   -3.3858    3.1258 C   0  0  0  0  0
   -2.5184   -2.7877    3.3364 C   0  0  0  0  0
   -2.8215   -1.5387    2.7947 C   0  0  0  0  0
   -1.8702   -0.8612    2.0413 C   0  0  0  0  0
   -0.6228   -1.4420    1.8162 C   0  0  0  0  0
   -0.3208   -2.7154    2.3235 C   0  0  0  0  0
    0.9384   -3.2573    1.9975 N   0  0  0  0  0
    2.1496   -2.6235    2.4552 C   0  0  0  0  0
    3.2530   -3.4130    1.7857 C   0  0  0  0  0
    2.6489   -4.7729    1.4580 C   0  0  0  0  0
    1.1587   -4.5421    1.5110 C   0  0  0  0  0
    0.3336   -5.3559    1.1270 O   0  0  0  0  0
    3.8114   -2.6863    0.5715 C   0  0  0  0  0
    5.0159   -2.4429    0.5342 O   0  0  0  0  0
    2.8939   -2.3566   -0.4110 N   0  0  0  0  0
    3.1561   -1.6207   -1.5906 C   0  0  0  0  0
    2.1432   -1.5544   -2.5555 C   0  0  0  0  0
    2.3386   -0.8660   -3.7674 C   0  0  0  0  0
    3.5665   -0.2257   -3.9983 C   0  0  0  0  0
    4.5842   -0.2617   -3.0368 C   0  0  0  0  0
    4.3621   -0.9588   -1.8366 C   0  0  0  0  0
    5.9091    0.4291   -3.2614 C   0  0  0  0  0
    6.1314    1.4297   -2.3656 F   0  0  0  0  0
    6.9679   -0.4187   -3.1535 F   0  0  0  0  0
    6.0154    1.0021   -4.4930 F   0  0  0  0  0
    1.2682   -0.8351   -4.8332 C   0  0  0  0  0
    1.0142    0.4260   -5.2790 F   0  0  0  0  0
    1.6150   -1.5591   -5.9321 F   0  0  0  0  0
    0.0720   -1.3325   -4.4158 F   0  0  0  0  0
   -1.5060   -4.7408    4.7748 H   0  0  0  0  0
    0.0728   -4.8283    4.0296 H   0  0  0  0  0
   -1.3429   -5.5311    3.1927 H   0  0  0  0  0
   -3.2689   -3.2946    3.9404 H   0  0  0  0  0
   -3.7989   -1.0951    2.9662 H   0  0  0  0  0
   -2.1040    0.1107    1.6150 H   0  0  0  0  0
    0.0927   -0.9091    1.1957 H   0  0  0  0  0
    2.1986   -2.7459    3.5443 H   0  0  0  0  0
    2.1644   -1.5565    2.2143 H   0  0  0  0  0
    4.0959   -3.5365    2.4780 H   0  0  0  0  0
    2.9370   -5.1406    0.4687 H   0  0  0  0  0
    2.9073   -5.5156    2.2197 H   0  0  0  0  0
    1.9498   -2.7189   -0.3167 H   0  0  0  0  0
    1.1920   -2.0585   -2.3852 H   0  0  0  0  0
    3.7288    0.3033   -4.9393 H   0  0  0  0  0
    5.1654   -0.9571   -1.1033 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 27  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 22 46  1  0  0  0
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3951255

>  <PubChem CID>
88954742

>  <Formula>
C20H16F6N2O2

>  <Molecular Weight>
430.350000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H16F6N2O2/c1-11-4-2-3-5-16(11)28-10-12(6-17(28)29)18(30)27-15-8-13(19(21,22)23)7-14(9-15)20(24,25)26/h2-5,7-9,12H,6,10H2,1H3,(H,27,30)

>  <InChI Key>
HNFFDQALNHAYGR-UHFFFAOYSA-N

