
 CHEMBL3907211

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.6547   -0.8153   -1.1689 C   0  0  0  0  0
    2.2873   -0.1861    0.1713 C   0  0  0  0  0
    2.2836    1.3609    0.1609 C   0  0  0  0  0
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   -0.0909    3.9281   -0.5501 O   0  0  0  0  0
    1.1227    3.0977    1.3183 N   0  0  0  0  0
    1.9380    1.9262    1.5405 C   0  0  0  0  0
    0.7600    4.0141    2.3713 C   0  0  0  0  0
   -0.0617    5.1197    2.0833 C   0  0  0  0  0
   -0.4581    6.0349    3.0639 C   0  0  0  0  0
   -0.0255    5.8810    4.3702 C   0  0  0  0  0
    0.7938    4.8051    4.6958 C   0  0  0  0  0
    1.1771    3.8616    3.7234 C   0  0  0  0  0
    1.9829    2.7968    4.0503 O   0  0  0  0  0
    2.0092    2.3796    5.4090 C   0  0  0  0  0
    3.6492    1.9267   -0.2880 C   0  0  0  0  0
    3.7363    2.6778   -1.2532 O   0  0  0  0  0
    4.7253    1.4990    0.4783 N   0  0  0  0  0
    6.0714    1.9083    0.3534 C   0  0  0  0  0
    7.0268    1.2014    1.0914 C   0  0  0  0  0
    8.3926    1.5296    1.0165 C   0  0  0  0  0
    8.7883    2.6006    0.2029 C   0  0  0  0  0
    7.8429    3.3340   -0.5283 C   0  0  0  0  0
    6.4865    2.9753   -0.4450 C   0  0  0  0  0
    8.2517    4.5027   -1.3953 C   0  0  0  0  0
    7.8550    4.3606   -2.6890 F   0  0  0  0  0
    7.7233    5.6803   -0.9621 F   0  0  0  0  0
    9.5991    4.6933   -1.4379 F   0  0  0  0  0
    9.4269    0.7433    1.7862 C   0  0  0  0  0
   10.3590    0.1769    0.9731 F   0  0  0  0  0
   10.1156    1.5164    2.6690 F   0  0  0  0  0
    8.8980   -0.2780    2.5168 F   0  0  0  0  0
    2.5420   -1.9025   -1.1131 H   0  0  0  0  0
    3.6937   -0.6036   -1.4365 H   0  0  0  0  0
    2.0092   -0.4529   -1.9749 H   0  0  0  0  0
    2.9716   -0.5699    0.9365 H   0  0  0  0  0
    1.2916   -0.5502    0.4575 H   0  0  0  0  0
    0.3031    1.1979   -0.7675 H   0  0  0  0  0
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    2.8482    2.1977    2.0791 H   0  0  0  0  0
    1.3476    1.2130    2.1282 H   0  0  0  0  0
   -0.4274    5.3171    1.0808 H   0  0  0  0  0
   -1.0992    6.8701    2.7926 H   0  0  0  0  0
   -0.3192    6.5988    5.1309 H   0  0  0  0  0
    1.1332    4.7342    5.7242 H   0  0  0  0  0
    0.9974    2.2289    5.8004 H   0  0  0  0  0
    2.5763    3.0814    6.0278 H   0  0  0  0  0
    2.5278    1.4166    5.4473 H   0  0  0  0  0
    4.5528    0.7792    1.1661 H   0  0  0  0  0
    6.7219    0.3682    1.7246 H   0  0  0  0  0
    9.8453    2.8651    0.1397 H   0  0  0  0  0
    5.7712    3.5704   -1.0080 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  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3907211

>  <PubChem CID>
88954748

>  <Formula>
C22H20F6N2O3

>  <Molecular Weight>
474.403000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC1(CC(=O)N(C1)C2=CC=CC=C2OC)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CCC1(CC(=O)N(C1)C2=CC=CC=C2OC)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C22H20F6N2O3/c1-3-20(11-18(31)30(12-20)16-6-4-5-7-17(16)33-2)19(32)29-15-9-13(21(23,24)25)8-14(10-15)22(26,27)28/h4-10H,3,11-12H2,1-2H3,(H,29,32)

>  <InChI Key>
JXYDRIQUICYLSP-UHFFFAOYSA-N

