
 CHEMBL3974566

 50 52  0  0  0  0  0  0  0  0999 V2000
    2.2542    0.3085    0.2363 C   0  0  0  0  0
    2.0172    0.2243    1.7201 C   0  0  0  0  0
    1.7985   -1.0118    2.3640 C   0  0  0  0  0
    1.5783   -1.0646    3.7564 C   0  0  0  0  0
    1.6035    0.1319    4.4907 C   0  0  0  0  0
    1.8217    1.3543    3.8590 C   0  0  0  0  0
    2.0271    1.4008    2.4826 C   0  0  0  0  0
    1.3213   -2.3493    4.4930 C   0  0  0  0  0
    1.8031   -2.1784    1.5753 N   0  0  0  0  0
    2.9084   -3.0934    1.5818 C   0  0  0  0  0
    2.5289   -4.1324    0.5402 C   0  0  0  0  0
    0.9970   -4.1445    0.5840 C   0  0  0  0  0
    0.6340   -2.7733    1.1042 C   0  0  0  0  0
   -0.5025   -2.3299    1.1470 O   0  0  0  0  0
    3.0750   -3.8036   -0.8478 C   0  0  0  0  0
    2.3321   -3.6142   -1.8035 O   0  0  0  0  0
    4.4616   -3.7873   -0.8964 N   0  0  0  0  0
    5.2642   -3.5910   -2.0406 C   0  0  0  0  0
    6.6210   -3.3220   -1.8351 C   0  0  0  0  0
    7.4794   -3.0797   -2.9117 C   0  0  0  0  0
    6.9927   -3.1706   -4.2142 C   0  0  0  0  0
    5.6418   -3.4740   -4.4445 C   0  0  0  0  0
    4.7825   -3.6675   -3.3481 C   0  0  0  0  0
    5.1003   -3.6086   -5.8465 C   0  0  0  0  0
    4.5717   -4.8405   -6.0850 F   0  0  0  0  0
    4.1130   -2.7129   -6.1176 F   0  0  0  0  0
    6.0466   -3.4206   -6.8101 F   0  0  0  0  0
    8.7701   -2.7870   -2.5662 O   0  0  0  0  0
    9.5356   -2.0881   -3.5431 C   0  0  0  0  0
    1.4419   -0.1762   -0.3143 H   0  0  0  0  0
    3.2057   -0.1685   -0.0204 H   0  0  0  0  0
    2.3000    1.3487   -0.1037 H   0  0  0  0  0
    1.4362    0.1209    5.5658 H   0  0  0  0  0
    1.8217    2.2733    4.4394 H   0  0  0  0  0
    2.1872    2.3649    2.0053 H   0  0  0  0  0
    2.2458   -2.9264    4.5843 H   0  0  0  0  0
    0.5600   -2.9487    3.9855 H   0  0  0  0  0
    0.9516   -2.1604    5.5069 H   0  0  0  0  0
    2.9823   -3.5685    2.5648 H   0  0  0  0  0
    3.8368   -2.5542    1.3736 H   0  0  0  0  0
    2.9240   -5.1224    0.7998 H   0  0  0  0  0
    0.5188   -4.3230   -0.3822 H   0  0  0  0  0
    0.6371   -4.8817    1.3098 H   0  0  0  0  0
    4.9664   -3.8408   -0.0198 H   0  0  0  0  0
    7.0296   -3.2590   -0.8293 H   0  0  0  0  0
    7.6496   -3.0262   -5.0681 H   0  0  0  0  0
    3.7413   -3.9067   -3.5521 H   0  0  0  0  0
   10.4638   -1.7584   -3.0664 H   0  0  0  0  0
    9.0088   -1.1960   -3.8996 H   0  0  0  0  0
    9.8036   -2.7467   -4.3750 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  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 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  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 44  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 28  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 47  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 28 29  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3974566

>  <PubChem CID>
68365555

>  <Formula>
C21H21F3N2O3

>  <Molecular Weight>
406.405000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C21H21F3N2O3/c1-12-5-4-6-13(2)19(12)26-11-14(7-18(26)27)20(28)25-16-8-15(21(22,23)24)9-17(10-16)29-3/h4-6,8-10,14H,7,11H2,1-3H3,(H,25,28)

>  <InChI Key>
HOMFPISZZYQNIE-UHFFFAOYSA-N

