
 SCHEMBL1603299

 53 55  0  0  0  0  0  0  0  0999 V2000
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    1.5640   -0.9951    3.6169 C   0  0  0  0  0
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    2.0477    1.3548    4.0183 C   0  0  0  0  0
    1.7251    0.0893    4.4966 C   0  0  0  0  0
    2.3232    0.7851    0.2864 C   0  0  0  0  0
    1.4922   -1.8760    1.3491 N   0  0  0  0  0
    2.5801   -2.7830    1.0618 C   0  0  0  0  0
    1.9785   -3.7797    0.0665 C   0  0  0  0  0
    0.9891   -2.9039   -0.7144 C   0  0  0  0  0
    0.6110   -1.8164    0.2661 C   0  0  0  0  0
   -0.3157   -1.0408    0.0924 O   0  0  0  0  0
    1.2778   -4.9260    0.8147 C   0  0  0  0  0
    0.5186   -5.7267   -0.0961 O   0  0  0  0  0
    3.0768   -4.3323   -0.8447 C   0  0  0  0  0
    4.2349   -3.9363   -0.7541 O   0  0  0  0  0
    2.6253   -5.2791   -1.7483 N   0  0  0  0  0
    3.3865   -6.0187   -2.6768 C   0  0  0  0  0
    2.7037   -6.9494   -3.4701 C   0  0  0  0  0
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    2.8620   -8.5356   -6.6047 F   0  0  0  0  0
    3.0268  -10.0177   -5.0220 F   0  0  0  0  0
    1.2948   -8.7065   -5.1076 F   0  0  0  0  0
    1.6259   -3.1576    3.7289 H   0  0  0  0  0
    0.0406   -2.4255    4.0857 H   0  0  0  0  0
    1.3651   -2.3676    5.2678 H   0  0  0  0  0
    2.4775    2.5508    2.2973 H   0  0  0  0  0
    2.1554    2.1880    4.7079 H   0  0  0  0  0
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    2.9410    0.0055   -0.1700 H   0  0  0  0  0
    2.8726    1.7251    0.1601 H   0  0  0  0  0
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    3.3986   -2.1954    0.6297 H   0  0  0  0  0
    1.4508   -2.4322   -1.5889 H   0  0  0  0  0
    0.0893   -3.4407   -1.0297 H   0  0  0  0  0
    0.5870   -4.5457    1.5748 H   0  0  0  0  0
    2.0078   -5.5788    1.3056 H   0  0  0  0  0
    0.0014   -6.3544    0.4449 H   0  0  0  0  0
    1.6418   -5.5404   -1.6535 H   0  0  0  0  0
    1.6259   -7.0670   -3.3617 H   0  0  0  0  0
    5.3101   -8.2072   -5.2729 H   0  0  0  0  0
    5.3381   -5.1797   -2.2344 H   0  0  0  0  0
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  4  8  1  0  0  0
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  8 40  1  0  0  0
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  8 42  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1603299

>  <PubChem CID>
51035109

>  <Formula>
C22H20F6N2O3

>  <Molecular Weight>
474.403000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C22H20F6N2O3/c1-12-4-3-5-13(2)18(12)30-10-20(11-31,9-17(30)32)19(33)29-16-7-14(21(23,24)25)6-15(8-16)22(26,27)28/h3-8,31H,9-11H2,1-2H3,(H,29,33)

>  <InChI Key>
HKTPOGGGTIMMTF-UHFFFAOYSA-N

