
 CHEMBL570074

 43 44  0  0  0  0  0  0  0  0999 V2000
   -0.8489    0.3585   -1.4383 C   0  0  0  0  0
    0.1291    0.8200   -0.3630 C   0  0  0  0  0
    0.7715    2.1159   -0.6475 N   0  0  0  0  0
    1.5469    2.0954   -1.8955 C   0  0  0  0  0
    2.2274    3.4392   -2.1716 C   0  0  0  0  0
    3.0975    3.8971   -1.0020 C   0  0  0  0  0
    2.2854    3.8594    0.2922 C   0  0  0  0  0
    1.6155    2.5022    0.4986 C   0  0  0  0  0
    4.3056    3.0853   -0.9116 N   0  0  0  0  0
    5.4445    3.4911   -0.2584 C   0  0  0  0  0
    5.5787    4.6097    0.2261 O   0  0  0  0  0
    6.5663    2.5008   -0.1926 C   0  0  0  0  0
    7.8472    3.0224    0.0398 C   0  0  0  0  0
    8.9571    2.1791    0.0700 C   0  0  0  0  0
    8.8224    0.8021   -0.1716 C   0  0  0  0  0
    7.5336    0.2766   -0.3272 C   0  0  0  0  0
    6.4031    1.1090   -0.3391 C   0  0  0  0  0
    5.1337    0.6175   -0.5256 O   0  0  0  0  0
    4.8856   -0.6897   -0.0117 C   0  0  0  0  0
    9.9092   -0.0836   -0.0498 N   0  0  0  0  0
   10.5150    2.8746    0.3516 Cl  0  0  0  0  0
   -1.4120   -0.5099   -1.0803 H   0  0  0  0  0
   -0.3305    0.0540   -2.3527 H   0  0  0  0  0
   -1.5675    1.1457   -1.6877 H   0  0  0  0  0
    0.8821    0.0373   -0.2043 H   0  0  0  0  0
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    0.8873    1.8953   -2.7471 H   0  0  0  0  0
    2.2944    1.2924   -1.8734 H   0  0  0  0  0
    2.8278    3.3614   -3.0863 H   0  0  0  0  0
    1.4552    4.1963   -2.3619 H   0  0  0  0  0
    3.4218    4.9296   -1.1814 H   0  0  0  0  0
    2.9189    4.0884    1.1570 H   0  0  0  0  0
    1.5114    4.6373    0.2525 H   0  0  0  0  0
    2.3808    1.7387    0.6907 H   0  0  0  0  0
    0.9962    2.5695    1.4017 H   0  0  0  0  0
    4.2463    2.1009   -1.1504 H   0  0  0  0  0
    7.9785    4.0926    0.1890 H   0  0  0  0  0
    7.4307   -0.7968   -0.4541 H   0  0  0  0  0
    5.2796   -1.4518   -0.6908 H   0  0  0  0  0
    3.8007   -0.8228    0.0445 H   0  0  0  0  0
    5.2906   -0.8124    0.9988 H   0  0  0  0  0
    9.8304   -0.9279   -0.6074 H   0  0  0  0  0
   10.8067    0.3833   -0.1773 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
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 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 21  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
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 18 19  1  0  0  0
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 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL570074

>  <PubChem CID>
44575

>  <Formula>
C15H22ClN3O2

>  <Molecular Weight>
311.810000

>  <IUPAC Name>
4-amino-5-chloro-N-(1-ethylpiperidin-4-yl)-2-methoxybenzamide

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl

>  <Isomeric SMILES>
CCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl

>  <InChI Std. ID>
InChI=1S/C15H22ClN3O2/c1-3-19-6-4-10(5-7-19)18-15(20)11-8-12(16)13(17)9-14(11)21-2/h8-10H,3-7,17H2,1-2H3,(H,18,20)

>  <InChI Key>
APDRIMSIHRLFQL-UHFFFAOYSA-N

