
 N-(2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl)-3-methoxybenzamide

 50 52  0  0  0  0  0  0  0  0999 V2000
    3.0692    1.2697    5.0690 C   0  0  0  0  0
    4.1388    1.7228    4.2463 O   0  0  0  0  0
    4.1656    1.2180    2.9757 C   0  0  0  0  0
    3.0474    0.7994    2.2530 C   0  0  0  0  0
    3.1956    0.3078    0.9530 C   0  0  0  0  0
    4.4605    0.2436    0.3643 C   0  0  0  0  0
    5.5816    0.6872    1.0753 C   0  0  0  0  0
    5.4274    1.1720    2.3800 C   0  0  0  0  0
    6.9532    0.6309    0.5024 C   0  0  0  0  0
    7.9243    0.4875    1.2372 O   0  0  0  0  0
    7.0594    0.7788   -0.8662 N   0  0  0  0  0
    8.3642    0.8587   -1.5026 C   0  0  0  0  0
    9.0129   -0.5272   -1.6822 C   0  0  0  0  0
   10.3757   -0.4517   -2.2467 N   0  0  0  0  0
   11.3796   -0.0873   -1.2117 C   0  0  0  0  0
   11.6671   -1.1632   -0.1302 C   0  0  0  0  0
   11.9563   -2.4866   -0.7404 N   0  0  0  0  0
   10.9858   -2.8838   -1.7802 C   0  0  0  0  0
   10.7925   -1.7554   -2.8178 C   0  0  0  0  0
   12.2949   -3.4573    0.2212 C   0  0  0  0  0
   11.4897   -4.5656    0.5231 C   0  0  0  0  0
   11.8639   -5.4991    1.4978 C   0  0  0  0  0
   13.0649   -5.3410    2.1807 C   0  0  0  0  0
   13.8903   -4.2613    1.8970 C   0  0  0  0  0
   13.5051   -3.3286    0.9262 C   0  0  0  0  0
   13.5284   -6.4885    3.3757 Cl  0  0  0  0  0
    3.2735    1.5993    6.0925 H   0  0  0  0  0
    3.0092    0.1758    5.0753 H   0  0  0  0  0
    2.1176    1.7141    4.7616 H   0  0  0  0  0
    2.0484    0.8526    2.6741 H   0  0  0  0  0
    2.3213   -0.0294    0.4006 H   0  0  0  0  0
    4.5564   -0.1754   -0.6327 H   0  0  0  0  0
    6.2969    1.5078    2.9421 H   0  0  0  0  0
    6.2498    1.0553   -1.4047 H   0  0  0  0  0
    8.9923    1.5198   -0.8972 H   0  0  0  0  0
    8.2183    1.3335   -2.4791 H   0  0  0  0  0
    8.3657   -1.0860   -2.3722 H   0  0  0  0  0
    8.9878   -1.0849   -0.7395 H   0  0  0  0  0
   11.1032    0.8526   -0.7214 H   0  0  0  0  0
   12.3212    0.1295   -1.7346 H   0  0  0  0  0
   12.5237   -0.8140    0.4589 H   0  0  0  0  0
   10.8124   -1.2453    0.5525 H   0  0  0  0  0
   11.3530   -3.7739   -2.3065 H   0  0  0  0  0
   10.0119   -3.1257   -1.3393 H   0  0  0  0  0
   11.7371   -1.6040   -3.3577 H   0  0  0  0  0
   10.0692   -2.0757   -3.5776 H   0  0  0  0  0
   10.5367   -4.7217    0.0274 H   0  0  0  0  0
   11.2113   -6.3386    1.7167 H   0  0  0  0  0
   14.8354   -4.1340    2.4182 H   0  0  0  0  0
   14.1716   -2.5006    0.7009 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  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 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 33  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
N-(2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl)-3-methoxybenzamide

>  <PubChem CID>
3626837

>  <Formula>
C20H24ClN3O2

>  <Molecular Weight>
373.881000

>  <IUPAC Name>
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-methoxybenzamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
COC1=CC=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)

>  <InChI Key>
DQVARXSGNFBPMB-UHFFFAOYSA-N

