
 CHEMBL3942644

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.7337    0.4982   -2.3698 C   0  0  0  0  0
    2.7117    0.8626   -0.9101 C   0  0  0  0  0
    2.4645   -0.0736    0.1178 C   0  0  0  0  0
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    2.1569   -0.6213    2.5913 C   0  0  0  0  0
    2.2409   -1.4384   -0.1680 N   0  0  0  0  0
    3.3526   -2.3601   -0.1664 C   0  0  0  0  0
    2.7115   -3.7064   -0.5351 C   0  0  0  0  0
    1.5450   -3.2947   -1.4506 C   0  0  0  0  0
    1.2117   -1.8902   -0.9971 C   0  0  0  0  0
    0.2295   -1.2699   -1.3753 O   0  0  0  0  0
    2.1455   -4.3320    0.7874 C   0  0  0  0  0
    0.9402   -4.3781    1.0113 O   0  0  0  0  0
    3.1397   -4.7944    1.6382 N   0  0  0  0  0
    2.9810   -5.3277    2.9334 C   0  0  0  0  0
    4.1385   -5.6920    3.6345 C   0  0  0  0  0
    4.0658   -6.2149    4.9375 C   0  0  0  0  0
    2.8064   -6.3849    5.5342 C   0  0  0  0  0
    1.6363   -6.0329    4.8487 C   0  0  0  0  0
    1.7405   -5.4996    3.5524 C   0  0  0  0  0
    0.2705   -6.2188    5.4664 C   0  0  0  0  0
   -0.4271   -5.0534    5.5535 F   0  0  0  0  0
   -0.5101   -7.0778    4.7563 F   0  0  0  0  0
    0.3178   -6.7195    6.7329 F   0  0  0  0  0
    5.3119   -6.5846    5.7072 C   0  0  0  0  0
    5.4636   -5.8357    6.8361 F   0  0  0  0  0
    5.3054   -7.8828    6.1146 F   0  0  0  0  0
    6.4594   -6.4217    4.9914 F   0  0  0  0  0
    3.6474   -4.7242   -1.0988 N   0  0  0  0  0
    4.2246   -4.3934   -2.3979 C   0  0  0  0  0
    1.7181    0.4881   -2.7749 H   0  0  0  0  0
    3.2030   -0.4759   -2.5349 H   0  0  0  0  0
    3.3227    1.2216   -2.9447 H   0  0  0  0  0
    2.6727    2.0269    2.8093 H   0  0  0  0  0
    3.0737    3.6617    1.0133 H   0  0  0  0  0
    3.0875    2.9520   -1.3426 H   0  0  0  0  0
    2.9350   -1.3856    2.6687 H   0  0  0  0  0
    1.1854   -1.1004    2.4328 H   0  0  0  0  0
    2.1119   -0.1055    3.5568 H   0  0  0  0  0
    3.8555   -2.3578    0.8051 H   0  0  0  0  0
    4.0673   -2.0224   -0.9237 H   0  0  0  0  0
    1.8268   -3.2139   -2.5038 H   0  0  0  0  0
    0.6683   -3.9429   -1.3674 H   0  0  0  0  0
    4.0759   -4.7881    1.2439 H   0  0  0  0  0
    5.1171   -5.5586    3.1738 H   0  0  0  0  0
    2.7396   -6.7946    6.5437 H   0  0  0  0  0
    0.8149   -5.2336    3.0468 H   0  0  0  0  0
    3.1261   -5.6009   -1.2112 H   0  0  0  0  0
    4.7694   -3.4456   -2.3862 H   0  0  0  0  0
    3.4730   -4.3688   -3.1917 H   0  0  0  0  0
    4.9462   -5.1702   -2.6719 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  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 37  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7 39  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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 19 20  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3942644

>  <PubChem CID>
88954682

>  <Formula>
C22H21F6N3O2

>  <Molecular Weight>
473.419000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C22H21F6N3O2/c1-12-5-4-6-13(2)18(12)31-11-20(29-3,10-17(31)32)19(33)30-16-8-14(21(23,24)25)7-15(9-16)22(26,27)28/h4-9,29H,10-11H2,1-3H3,(H,30,33)

>  <InChI Key>
GHHVKXZDCNGTPN-UHFFFAOYSA-N

