
 CHEMBL3951472

 56 59  0  0  0  0  0  0  0  0999 V2000
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    1.8085    3.5421    2.4878 N   0  0  0  0  0
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    1.9084    4.1558    3.7846 C   0  0  0  0  0
    1.4368    5.4750    3.9415 C   0  0  0  0  0
    1.4799    6.1489    5.1692 C   0  0  0  0  0
    1.9967    5.5212    6.2911 C   0  0  0  0  0
    2.4681    4.2199    6.1794 C   0  0  0  0  0
    2.4296    3.5364    4.9488 C   0  0  0  0  0
    3.1427    1.9575    5.0185 Cl  0  0  0  0  0
    2.2879    0.7440    0.2077 C   0  0  0  0  0
    3.0348    0.0717    0.9111 O   0  0  0  0  0
    2.1036    0.5522   -1.1561 N   0  0  0  0  0
    2.6943   -0.4710   -1.9416 C   0  0  0  0  0
    2.5126   -0.4230   -3.3318 C   0  0  0  0  0
    3.0755   -1.3885   -4.1908 C   0  0  0  0  0
    3.8100   -2.4322   -3.6061 C   0  0  0  0  0
    3.9944   -2.5159   -2.2218 C   0  0  0  0  0
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    2.8799   -1.3439   -5.6877 C   0  0  0  0  0
    3.1840   -0.0950   -6.4793 C   0  0  0  0  0
    4.0962   -1.2784   -6.5864 C   0  0  0  0  0
    0.2949   -0.6829    1.1914 H   0  0  0  0  0
   -1.3989   -0.2159    1.2981 H   0  0  0  0  0
   -0.2910    0.2292    2.5943 H   0  0  0  0  0
   -0.3443    1.2654   -0.2819 H   0  0  0  0  0
   -0.8959    2.7452    2.3357 H   0  0  0  0  0
   -2.1015    2.1418    1.1970 H   0  0  0  0  0
   -1.0084    3.4238    0.6974 H   0  0  0  0  0
    0.9497    3.4541   -0.6014 H   0  0  0  0  0
    2.6934    3.2296   -0.3228 H   0  0  0  0  0
    3.0196    1.9080    2.3323 H   0  0  0  0  0
    1.3907    1.5611    3.0041 H   0  0  0  0  0
    0.9925    6.0187    3.1116 H   0  0  0  0  0
    1.1044    7.1670    5.2387 H   0  0  0  0  0
    2.0380    6.0401    7.2449 H   0  0  0  0  0
    2.8850    3.7356    7.0609 H   0  0  0  0  0
    1.5348    1.2211   -1.6603 H   0  0  0  0  0
    1.9328    0.3816   -3.7783 H   0  0  0  0  0
    4.2443   -3.1961   -4.2520 H   0  0  0  0  0
    3.5776   -1.6314   -0.3310 H   0  0  0  0  0
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    2.5517    0.1307   -7.3309 H   0  0  0  0  0
    4.0799   -1.8585   -7.5022 H   0  0  0  0  0
    5.0808   -1.1930   -6.1390 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
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  9 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3951472

>  <PubChem CID>
51034331

>  <Formula>
C24H24ClF3N2O2

>  <Molecular Weight>
464.913000

>  <IUPAC Name>
1-(2-chlorophenyl)-N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1(CC(=O)N(C1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C4CC4

>  <Isomeric SMILES>
CC(C)C1(CC(=O)N(C1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C4CC4

>  <InChI Std. ID>
InChI=1S/C24H24ClF3N2O2/c1-14(2)23(12-21(31)30(13-23)20-6-4-3-5-19(20)25)22(32)29-18-10-16(15-7-8-15)9-17(11-18)24(26,27)28/h3-6,9-11,14-15H,7-8,12-13H2,1-2H3,(H,29,32)

>  <InChI Key>
HXIHEFIHDIRCLG-UHFFFAOYSA-N

