
 CHEMBL3943343

 49 51  0  0  0  0  0  0  0  0999 V2000
    2.5605   -0.2226    1.9249 C   0  0  0  0  0
    1.3555   -0.6711    2.7035 C   0  0  0  0  0
    0.9389    0.1337    3.7805 C   0  0  0  0  0
   -0.2227   -0.1621    4.4916 C   0  0  0  0  0
   -0.9918   -1.2610    4.1299 C   0  0  0  0  0
   -0.5892   -2.0735    3.0688 C   0  0  0  0  0
    0.5978   -1.8115    2.3667 C   0  0  0  0  0
    1.0064   -2.7132    1.3538 N   0  0  0  0  0
    2.3045   -3.3493    1.3912 C   0  0  0  0  0
    2.1594   -4.6067    0.5235 C   0  0  0  0  0
    0.9299   -4.3249   -0.3492 C   0  0  0  0  0
    0.1386   -3.3237    0.4493 C   0  0  0  0  0
   -1.0372   -3.0746    0.2426 O   0  0  0  0  0
    1.8823   -5.8303    1.4190 C   0  0  0  0  0
    3.4084   -4.8527   -0.3408 C   0  0  0  0  0
    3.9921   -5.9330   -0.3013 O   0  0  0  0  0
    3.8000   -3.7828   -1.1327 N   0  0  0  0  0
    4.8847   -3.7529   -2.0374 C   0  0  0  0  0
    5.3037   -2.4965   -2.4935 C   0  0  0  0  0
    6.3803   -2.3690   -3.3874 C   0  0  0  0  0
    7.0144   -3.5296   -3.8553 C   0  0  0  0  0
    6.5933   -4.7983   -3.4308 C   0  0  0  0  0
    5.5356   -4.8945   -2.5091 C   0  0  0  0  0
    7.2483   -6.0573   -3.9499 C   0  0  0  0  0
    7.8791   -6.7614   -2.9721 F   0  0  0  0  0
    6.3550   -6.9123   -4.5191 F   0  0  0  0  0
    8.1908   -5.8173   -4.9045 F   0  0  0  0  0
    6.8581   -1.0111   -3.8451 C   0  0  0  0  0
    8.1772   -0.8085   -3.5785 F   0  0  0  0  0
    6.7114   -0.8344   -5.1858 F   0  0  0  0  0
    6.1950    0.0219   -3.2546 F   0  0  0  0  0
    2.7139    0.8578    2.0255 H   0  0  0  0  0
    2.4274   -0.4103    0.8541 H   0  0  0  0  0
    3.4594   -0.7308    2.2841 H   0  0  0  0  0
    1.5090    1.0190    4.0565 H   0  0  0  0  0
   -0.5350    0.4750    5.3151 H   0  0  0  0  0
   -1.9038   -1.4925    4.6739 H   0  0  0  0  0
   -1.2009   -2.9384    2.8214 H   0  0  0  0  0
    2.5645   -3.5964    2.4279 H   0  0  0  0  0
    3.0566   -2.6527    1.0189 H   0  0  0  0  0
    1.1735   -3.8726   -1.3155 H   0  0  0  0  0
    0.3268   -5.2215   -0.5236 H   0  0  0  0  0
    1.0013   -5.6768    2.0523 H   0  0  0  0  0
    2.7342   -6.0392    2.0764 H   0  0  0  0  0
    1.7062   -6.7293    0.8166 H   0  0  0  0  0
    3.3194   -2.9002   -1.0108 H   0  0  0  0  0
    4.8113   -1.5936   -2.1341 H   0  0  0  0  0
    7.8428   -3.4415   -4.5610 H   0  0  0  0  0
    5.2202   -5.8893   -2.2001 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 38  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 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 10 14  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 43  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 28  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 49  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3943343

>  <PubChem CID>
51034885

>  <Formula>
C21H18F6N2O2

>  <Molecular Weight>
444.377000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C21H18F6N2O2/c1-12-5-3-4-6-16(12)29-11-19(2,10-17(29)30)18(31)28-15-8-13(20(22,23)24)7-14(9-15)21(25,26)27/h3-9H,10-11H2,1-2H3,(H,28,31)

>  <InChI Key>
BWCVCEGIVOODDO-UHFFFAOYSA-N

