
 CHEMBL156499

 46 47  0  0  0  0  0  0  0  0999 V2000
    0.9144   -0.8646   -0.2075 C   0  0  0  0  0
    2.2391   -0.4503    0.2315 N   0  0  0  0  0
    3.1566   -1.5278    0.6352 C   0  0  0  0  0
    3.8859   -2.1111   -0.5969 C   0  0  0  0  0
    4.7169   -3.3034   -0.3251 N   0  0  0  0  0
    5.9714   -2.9235    0.3501 C   0  0  0  0  0
    6.8693   -4.1376    0.6062 C   0  0  0  0  0
    7.1573   -4.9022   -0.6800 C   0  0  0  0  0
    5.8540   -5.2450   -1.3873 C   0  0  0  0  0
    5.0004   -3.9955   -1.5962 C   0  0  0  0  0
    2.7558    0.8435    0.1631 C   0  0  0  0  0
    3.9149    1.1045    0.4974 O   0  0  0  0  0
    1.9904    1.9588   -0.4482 C   0  0  0  0  0
    2.6557    2.6284   -1.4880 C   0  0  0  0  0
    2.0629    3.7199   -2.1151 C   0  0  0  0  0
    0.8170    4.2017   -1.6860 C   0  0  0  0  0
    0.1416    3.5015   -0.6746 C   0  0  0  0  0
    0.7224    2.3935   -0.0326 C   0  0  0  0  0
    0.1269    1.7362    1.0120 O   0  0  0  0  0
   -1.2929    1.8332    1.0985 C   0  0  0  0  0
    0.1428    5.2263   -2.3779 N   0  0  0  0  0
    2.9201    4.5012   -3.3971 Cl  0  0  0  0  0
    0.4346   -0.1239   -0.8461 H   0  0  0  0  0
    0.3030   -1.0449    0.6819 H   0  0  0  0  0
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    7.8132   -3.8100    1.0568 H   0  0  0  0  0
    6.3851   -4.8071    1.3281 H   0  0  0  0  0
    7.7835   -4.2899   -1.3406 H   0  0  0  0  0
    7.7186   -5.8167   -0.4598 H   0  0  0  0  0
    6.0687   -5.7117   -2.3554 H   0  0  0  0  0
    5.2949   -5.9801   -0.7946 H   0  0  0  0  0
    5.5029   -3.3210   -2.3022 H   0  0  0  0  0
    4.0578   -4.3099   -2.0615 H   0  0  0  0  0
    3.6439    2.2939   -1.7982 H   0  0  0  0  0
   -0.8422    3.8578   -0.3859 H   0  0  0  0  0
   -1.7691    1.5953    0.1404 H   0  0  0  0  0
   -1.5975    2.8221    1.4545 H   0  0  0  0  0
   -1.6355    1.0957    1.8302 H   0  0  0  0  0
   -0.4982    5.7668   -1.8058 H   0  0  0  0  0
    0.7821    5.8199   -2.9064 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
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  2  3  1  0  0  0
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  7  8  1  0  0  0
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  7 33  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL156499

>  <PubChem CID>
10544078

>  <Formula>
C16H24ClN3O2

>  <Molecular Weight>
325.837000

>  <IUPAC Name>
4-amino-5-chloro-2-methoxy-N-methyl-N-(2-piperidin-1-ylethyl)benzamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CCN1CCCCC1)C(=O)C2=CC(=C(C=C2OC)N)Cl

>  <Isomeric SMILES>
CN(CCN1CCCCC1)C(=O)C2=CC(=C(C=C2OC)N)Cl

>  <InChI Std. ID>
InChI=1S/C16H24ClN3O2/c1-19(8-9-20-6-4-3-5-7-20)16(21)12-10-13(17)14(18)11-15(12)22-2/h10-11H,3-9,18H2,1-2H3

>  <InChI Key>
BAWFIQQUHZQVAY-UHFFFAOYSA-N

