
 CHEMBL306903

 51 53  0  0  0  0  0  0  0  0999 V2000
    0.3765    2.8619    0.4732 C   0  0  0  0  0
   -0.8017    2.9715    1.4307 C   0  0  0  0  0
   -1.5675    1.6990    1.1442 C   0  0  0  0  0
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    1.8061    2.5537   -2.3931 C   0  0  0  0  0
    3.0305    2.0015   -2.8220 C   0  0  0  0  0
    4.0479    2.8023   -3.3477 C   0  0  0  0  0
    3.8602    4.1732   -3.4748 C   0  0  0  0  0
    2.6500    4.7402   -3.0905 C   0  0  0  0  0
    1.6302    3.9384   -2.5675 C   0  0  0  0  0
    1.2591    0.3201   -1.2516 C   0  0  0  0  0
    2.0563    0.2751   -0.3183 O   0  0  0  0  0
    0.8335   -0.8194   -1.9135 N   0  0  0  0  0
    1.2589   -2.1315   -1.4798 C   0  0  0  0  0
    0.8142   -3.2489   -2.4280 C   0  0  0  0  0
    1.2720   -4.6113   -1.8838 C   0  0  0  0  0
    0.9262   -5.7438   -2.8483 C   0  0  0  0  0
    1.4827   -5.5111   -4.1816 N   0  0  0  0  0
    0.9974   -4.2500   -4.7418 C   0  0  0  0  0
    1.3548   -3.0579   -3.8541 C   0  0  0  0  0
   -0.1526    1.3217   -2.9837 O   0  0  0  0  0
   -2.8479    1.7810    1.5518 F   0  0  0  0  0
   -0.9980    0.6609    1.8012 F   0  0  0  0  0
    0.8656    3.8298    0.3297 H   0  0  0  0  0
    1.1161    2.1690    0.8830 H   0  0  0  0  0
   -1.4118    3.8535    1.2055 H   0  0  0  0  0
   -0.4722    3.0325    2.4718 H   0  0  0  0  0
   -1.3370    0.4049   -0.5686 H   0  0  0  0  0
   -2.3787    1.8000   -0.8615 H   0  0  0  0  0
   -0.7396    3.1917   -1.3166 H   0  0  0  0  0
    3.2261    0.9330   -2.7444 H   0  0  0  0  0
    4.9890    2.3509   -3.6521 H   0  0  0  0  0
    4.6539    4.7974   -3.8765 H   0  0  0  0  0
    2.4960    5.8111   -3.1984 H   0  0  0  0  0
    0.6964    4.4268   -2.3028 H   0  0  0  0  0
    0.0072   -0.7053   -2.4950 H   0  0  0  0  0
    0.8439   -2.2942   -0.4780 H   0  0  0  0  0
    2.3513   -2.1175   -1.3802 H   0  0  0  0  0
   -0.2835   -3.2454   -2.4778 H   0  0  0  0  0
    0.8015   -4.8041   -0.9124 H   0  0  0  0  0
    2.3571   -4.5995   -1.7140 H   0  0  0  0  0
    1.3254   -6.6872   -2.4593 H   0  0  0  0  0
   -0.1613   -5.8682   -2.9150 H   0  0  0  0  0
    2.5005   -5.4777   -4.1166 H   0  0  0  0  0
    1.4397   -4.1107   -5.7344 H   0  0  0  0  0
   -0.0884   -4.3026   -4.8887 H   0  0  0  0  0
    2.4453   -2.9335   -3.8288 H   0  0  0  0  0
    0.9403   -2.1464   -4.3002 H   0  0  0  0  0
    0.4187    1.3720   -3.7720 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
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  2 29  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6 23  1  0  0  0
  6 13  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
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 11 12  2  0  0  0
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 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL306903

>  <PubChem CID>
44309089

>  <Formula>
C19H26F2N2O2

>  <Molecular Weight>
352.426000

>  <IUPAC Name>
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CC1C(C2=CC=CC=C2)(C(=O)NCC3CCNCC3)O)(F)F

>  <Isomeric SMILES>
C1CC(C[C@@H]1[C@@](C2=CC=CC=C2)(C(=O)NCC3CCNCC3)O)(F)F

>  <InChI Std. ID>
InChI=1S/C19H26F2N2O2/c20-18(21)9-6-16(12-18)19(25,15-4-2-1-3-5-15)17(24)23-13-14-7-10-22-11-8-14/h1-5,14,16,22,25H,6-13H2,(H,23,24)/t16-,19+/m1/s1

>  <InChI Key>
ARNGHJQKGZGVCU-APWZRJJASA-N

