
 CHEMBL3618193

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.1208    1.8600   -0.1560 C   0  0  0  0  0
   -0.0561    2.1707    0.7680 C   0  0  0  0  0
   -0.9047    0.9873    0.9031 N   0  0  0  0  0
   -0.2212   -0.1646    1.4840 C   0  0  0  0  0
    0.9632   -0.5806    0.6132 C   0  0  0  0  0
    1.9036    0.6083    0.3045 C   0  0  0  0  0
    2.9410    0.2055   -0.7536 C   0  0  0  0  0
    4.3180    0.1723   -0.4607 C   0  0  0  0  0
    5.2550   -0.1936   -1.4307 C   0  0  0  0  0
    4.8255   -0.5317   -2.7055 C   0  0  0  0  0
    3.4764   -0.5145   -3.0282 C   0  0  0  0  0
    2.5393   -0.1502   -2.0579 C   0  0  0  0  0
    5.7237   -0.8798   -3.6361 F   0  0  0  0  0
    2.6098    0.9668    1.5052 O   0  0  0  0  0
   -2.0184    0.7259    0.0993 C   0  0  0  0  0
   -2.3688   -0.4233   -0.1477 O   0  0  0  0  0
   -2.6810    1.8519   -0.3368 N   0  0  0  0  0
   -3.7913    1.8899   -1.2089 C   0  0  0  0  0
   -4.5214    3.0792   -1.2722 C   0  0  0  0  0
   -5.6438    3.1631   -2.0904 C   0  0  0  0  0
   -6.0567    2.0857   -2.8633 C   0  0  0  0  0
   -5.3274    0.8918   -2.8318 C   0  0  0  0  0
   -4.1880    0.8109   -2.0077 C   0  0  0  0  0
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    0.2917    2.4502    1.7690 H   0  0  0  0  0
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   -0.9099   -1.0080    1.6058 H   0  0  0  0  0
    1.5148   -1.3791    1.1250 H   0  0  0  0  0
    0.5660   -1.0084   -0.3157 H   0  0  0  0  0
    4.6786    0.4337    0.5325 H   0  0  0  0  0
    6.3140   -0.2151   -1.1955 H   0  0  0  0  0
    3.1603   -0.7853   -4.0305 H   0  0  0  0  0
    1.4866   -0.1505   -2.3347 H   0  0  0  0  0
    1.9977    0.9755    2.2560 H   0  0  0  0  0
   -2.5309    2.6767    0.2231 H   0  0  0  0  0
   -4.2476    3.9484   -0.6832 H   0  0  0  0  0
   -6.9442    2.1876   -3.4832 H   0  0  0  0  0
   -3.6243   -0.1205   -2.0096 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
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  2 32  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
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  4 34  1  0  0  0
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  5 35  1  0  0  0
  5 36  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
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  8  9  1  0  0  0
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  9 10  2  0  0  0
  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3618193

>  <PubChem CID>
23071955

>  <Formula>
C19H17F5N2O2

>  <Molecular Weight>
400.349000

>  <IUPAC Name>
4-(4-fluorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)F

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)F

>  <InChI Std. ID>
InChI=1S/C19H17F5N2O2/c20-14-3-1-12(2-4-14)18(28)5-7-26(8-6-18)17(27)25-16-10-13(19(22,23)24)9-15(21)11-16/h1-4,9-11,28H,5-8H2,(H,25,27)

>  <InChI Key>
CXVIYEZWFVXTER-UHFFFAOYSA-N

