
 SCHEMBL1991141

 45 47  0  0  0  0  0  0  0  0999 V2000
    3.2431    7.1768   -1.1180 C   0  0  0  0  0
    2.7232    6.1341   -0.3024 O   0  0  0  0  0
    3.3153    4.9013   -0.3914 C   0  0  0  0  0
    2.7388    3.8649    0.3606 C   0  0  0  0  0
    3.2694    2.5715    0.3200 C   0  0  0  0  0
    4.3909    2.2973   -0.4647 C   0  0  0  0  0
    4.9929    3.3259   -1.1988 C   0  0  0  0  0
    4.4440    4.6196   -1.1689 C   0  0  0  0  0
    6.2040    3.0999   -2.0437 C   0  0  0  0  0
    6.3472    3.8020   -3.0377 O   0  0  0  0  0
    7.0736    2.1297   -1.5810 N   0  0  0  0  0
    8.3030    1.7377   -2.1530 C   0  0  0  0  0
    8.8298    2.2734   -3.3254 C   0  0  0  0  0
   10.0777    1.8503   -3.8003 C   0  0  0  0  0
   10.8256    0.8748   -3.1212 C   0  0  0  0  0
   10.2802    0.3311   -1.9544 C   0  0  0  0  0
    9.0356    0.7569   -1.4769 C   0  0  0  0  0
   12.2003    0.4935   -3.6596 C   0  0  0  0  0
   13.2722    1.5035   -3.2118 C   0  0  0  0  0
   13.7663    1.2201   -1.7948 C   0  0  0  0  0
   14.2295   -0.2272   -1.6514 C   0  0  0  0  0
   13.1739   -1.1735   -2.0060 N   0  0  0  0  0
   12.6736   -0.9517   -3.3694 C   0  0  0  0  0
    1.3504    4.1349    1.3558 Cl  0  0  0  0  0
    2.6252    8.0656   -0.9580 H   0  0  0  0  0
    3.1832    6.9176   -2.1803 H   0  0  0  0  0
    4.2684    7.4275   -0.8273 H   0  0  0  0  0
    2.8039    1.7724    0.8926 H   0  0  0  0  0
    4.7581    1.2758   -0.5099 H   0  0  0  0  0
    4.9267    5.3910   -1.7628 H   0  0  0  0  0
    6.8597    1.6941   -0.6949 H   0  0  0  0  0
    8.3045    3.0348   -3.8926 H   0  0  0  0  0
   10.4672    2.3053   -4.7093 H   0  0  0  0  0
   10.8199   -0.4195   -1.3827 H   0  0  0  0  0
    8.6598    0.3106   -0.5602 H   0  0  0  0  0
   12.1220    0.5633   -4.7546 H   0  0  0  0  0
   12.9072    2.5352   -3.2787 H   0  0  0  0  0
   14.1282    1.4312   -3.8958 H   0  0  0  0  0
   14.5964    1.8949   -1.5564 H   0  0  0  0  0
   12.9709    1.4321   -1.0701 H   0  0  0  0  0
   15.1155   -0.4035   -2.2733 H   0  0  0  0  0
   14.5276   -0.4056   -0.6125 H   0  0  0  0  0
   13.5326   -2.1251   -1.9308 H   0  0  0  0  0
   13.4771   -1.2053   -4.0737 H   0  0  0  0  0
   11.8578   -1.6578   -3.5643 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1991141

>  <PubChem CID>
67238504

>  <Formula>
C19H21ClN2O2

>  <Molecular Weight>
344.839000

>  <IUPAC Name>
4-chloro-3-methoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3CCCNC3)Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)[C@@H]3CCCNC3)Cl

>  <InChI Std. ID>
InChI=1S/C19H21ClN2O2/c1-24-18-11-14(6-9-17(18)20)19(23)22-16-7-4-13(5-8-16)15-3-2-10-21-12-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H,22,23)/t15-/m1/s1

>  <InChI Key>
BHRQCRFMVOTRQJ-OAHLLOKOSA-N

