
 CHEMBL228461

 53 54  0  0  0  0  0  0  0  0999 V2000
    3.8026   -0.3568   -0.3395 C   0  0  0  0  0
    5.0821    0.3102   -0.0846 N   0  0  0  0  0
    5.5020    1.0312   -1.2923 C   0  0  0  0  0
    4.9985    1.2570    1.0467 C   0  0  0  0  0
    4.8159    0.5655    2.4061 C   0  0  0  0  0
    4.7295    1.5715    3.5724 C   0  0  0  0  0
    4.2787    0.8543    4.8425 C   0  0  0  0  0
    5.1630    0.1079    5.6413 C   0  0  0  0  0
    4.7140   -0.5343    6.7977 C   0  0  0  0  0
    3.3709   -0.4612    7.1560 C   0  0  0  0  0
    2.4717    0.2437    6.3610 C   0  0  0  0  0
    2.9229    0.8983    5.2133 C   0  0  0  0  0
    2.8230   -1.2556    8.5795 Cl  0  0  0  0  0
    5.9920    2.2673    3.7874 N   0  0  0  0  0
    6.2816    3.4952    3.2462 C   0  0  0  0  0
    5.5044    4.1398    2.5495 O   0  0  0  0  0
    7.6749    3.9933    3.5775 C   0  0  0  0  0
    7.7031    4.8403    4.8470 C   0  0  0  0  0
    7.2958    4.1016    6.1003 C   0  0  0  0  0
    6.1661    4.5145    6.8158 C   0  0  0  0  0
    5.7667    3.8283    7.9637 C   0  0  0  0  0
    6.4813    2.7192    8.4174 C   0  0  0  0  0
    7.6139    2.3071    7.7156 C   0  0  0  0  0
    8.0241    2.9999    6.5691 C   0  0  0  0  0
    5.9743    2.1406    9.5475 O   0  0  0  0  0
    6.6485    0.9924   10.0457 C   0  0  0  0  0
    3.5216   -1.0095    0.4918 H   0  0  0  0  0
    3.8775   -1.0079   -1.2182 H   0  0  0  0  0
    2.9904    0.3586   -0.5133 H   0  0  0  0  0
    5.6029    0.3421   -2.1383 H   0  0  0  0  0
    6.4870    1.4887   -1.1459 H   0  0  0  0  0
    4.7926    1.8191   -1.5709 H   0  0  0  0  0
    4.1940    1.9858    0.8826 H   0  0  0  0  0
    5.9401    1.8172    1.0819 H   0  0  0  0  0
    5.6436   -0.1367    2.5728 H   0  0  0  0  0
    3.8945   -0.0280    2.3944 H   0  0  0  0  0
    3.9764    2.3306    3.3253 H   0  0  0  0  0
    6.2134    0.0158    5.3783 H   0  0  0  0  0
    5.4164   -1.0891    7.4136 H   0  0  0  0  0
    1.4192    0.2875    6.6293 H   0  0  0  0  0
    2.2054    1.4450    4.6036 H   0  0  0  0  0
    6.6663    1.8527    4.4111 H   0  0  0  0  0
    8.0218    4.5920    2.7263 H   0  0  0  0  0
    8.3605    3.1407    3.6500 H   0  0  0  0  0
    7.0544    5.7147    4.7058 H   0  0  0  0  0
    8.7150    5.2334    4.9967 H   0  0  0  0  0
    5.5826    5.3708    6.4859 H   0  0  0  0  0
    4.8866    4.1611    8.5093 H   0  0  0  0  0
    8.2026    1.4550    8.0368 H   0  0  0  0  0
    8.9177    2.6683    6.0454 H   0  0  0  0  0
    7.6742    1.2331   10.3382 H   0  0  0  0  0
    6.6259    0.1754    9.3181 H   0  0  0  0  0
    6.1154    0.6560   10.9404 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  4  1  0  0  0
  2  3  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 12 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL228461

>  <PubChem CID>
15983449

>  <Formula>
C21H27ClN2O2

>  <Molecular Weight>
374.909000

>  <IUPAC Name>
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)CCC2=CC=C(C=C2)OC

>  <Isomeric SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)NC(=O)CCC2=CC=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C21H27ClN2O2/c1-24(2)15-14-20(17-7-9-18(22)10-8-17)23-21(25)13-6-16-4-11-19(26-3)12-5-16/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,23,25)

>  <InChI Key>
BMMSRFZZLSBZRR-UHFFFAOYSA-N

