
 CHEMBL3401377

 61 63  0  0  0  0  0  0  0  0999 V2000
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    2.8045   -1.0267    1.3640 H   0  0  0  0  0
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    1.4477    0.5522    2.5975 H   0  0  0  0  0
    0.9463    2.2448    2.5809 H   0  0  0  0  0
    2.6633    1.8378    2.5311 H   0  0  0  0  0
    4.7451    0.3755   -0.4278 H   0  0  0  0  0
    4.3699    0.8354    1.2240 H   0  0  0  0  0
    3.1709    2.8790   -1.7868 H   0  0  0  0  0
    4.7283    2.1958   -2.2627 H   0  0  0  0  0
    4.6610    4.4519   -2.9926 H   0  0  0  0  0
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  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3401377

>  <PubChem CID>
118728426

>  <Formula>
C24H30ClFN2O3

>  <Molecular Weight>
448.963000

>  <IUPAC Name>
N-[3-chloro-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)Cl)OC3=CC=C(C=C3)F)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)Cl)OC3=CC=C(C=C3)F)O

>  <InChI Std. ID>
InChI=1S/C24H30ClFN2O3/c1-3-17(4-2)16-24(30)9-11-28(12-10-24)23(29)27-20-13-18(25)14-22(15-20)31-21-7-5-19(26)6-8-21/h5-8,13-15,17,30H,3-4,9-12,16H2,1-2H3,(H,27,29)

>  <InChI Key>
CAQJBFDNASWNMC-UHFFFAOYSA-N

