
 CHEMBL382401

 49 50  0  0  0  0  0  0  0  0999 V2000
   -1.6544    2.3030   -3.4989 C   0  0  0  0  0
   -0.3987    1.8215   -2.8342 C   0  0  0  0  0
    0.3813    2.7005   -2.0728 C   0  0  0  0  0
    1.5588    2.2645   -1.4334 C   0  0  0  0  0
    1.9404    0.9114   -1.5260 C   0  0  0  0  0
    1.1271    0.0290   -2.2597 C   0  0  0  0  0
   -0.0250    0.4794   -2.9076 C   0  0  0  0  0
    3.1696    0.3650   -0.8548 C   0  0  0  0  0
    2.3616    3.2548   -0.6448 C   0  0  0  0  0
    2.9686    2.9287    0.3676 O   0  0  0  0  0
    2.3716    4.5428   -1.1417 N   0  0  0  0  0
    3.1427    5.6117   -0.5248 C   0  0  0  0  0
    4.5851    5.6010   -1.0701 C   0  0  0  0  0
    5.4896    6.6489   -0.4043 C   0  0  0  0  0
    6.8346    6.6997   -1.0105 N   0  0  0  0  0
    7.5595    7.8780   -0.5246 C   0  0  0  0  0
    7.6127    5.4924   -0.7197 C   0  0  0  0  0
    2.3654    6.9094   -0.7092 C   0  0  0  0  0
    2.5121    7.7285   -1.8401 C   0  0  0  0  0
    1.7601    8.8992   -1.9759 C   0  0  0  0  0
    0.8391    9.2520   -0.9930 C   0  0  0  0  0
    0.6593    8.4417    0.1239 C   0  0  0  0  0
    1.4157    7.2753    0.2621 C   0  0  0  0  0
   -0.0868   10.6915   -1.1648 Cl  0  0  0  0  0
   -1.5358    3.3342   -3.8490 H   0  0  0  0  0
   -2.4922    2.2596   -2.7969 H   0  0  0  0  0
   -1.8939    1.6905   -4.3746 H   0  0  0  0  0
    0.0498    3.7309   -1.9642 H   0  0  0  0  0
    1.3887   -1.0253   -2.3316 H   0  0  0  0  0
   -0.6317   -0.2317   -3.4657 H   0  0  0  0  0
    3.3943   -0.6498   -1.2019 H   0  0  0  0  0
    3.0226    0.3180    0.2285 H   0  0  0  0  0
    4.0451    0.9788   -1.0884 H   0  0  0  0  0
    1.9973    4.7196   -2.0661 H   0  0  0  0  0
    3.2077    5.4063    0.5534 H   0  0  0  0  0
    4.5857    5.7397   -2.1587 H   0  0  0  0  0
    4.9996    4.6001   -0.8971 H   0  0  0  0  0
    5.5528    6.4622    0.6754 H   0  0  0  0  0
    5.0260    7.6347   -0.5270 H   0  0  0  0  0
    7.0278    8.7969   -0.7961 H   0  0  0  0  0
    8.5482    7.9432   -0.9930 H   0  0  0  0  0
    7.6923    7.8623    0.5631 H   0  0  0  0  0
    7.1672    4.6099   -1.1886 H   0  0  0  0  0
    7.7035    5.3092    0.3569 H   0  0  0  0  0
    8.6221    5.5752   -1.1392 H   0  0  0  0  0
    3.2185    7.4744   -2.6274 H   0  0  0  0  0
    1.8987    9.5294   -2.8507 H   0  0  0  0  0
   -0.0665    8.7079    0.8877 H   0  0  0  0  0
    1.2565    6.6437    1.1357 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  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8 31  1  0  0  0
  8 32  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 18  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL382401

>  <PubChem CID>
11609885

>  <Formula>
C20H25ClN2O

>  <Molecular Weight>
344.883000

>  <IUPAC Name>
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,5-dimethylbenzamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)C(=O)NC(CCN(C)C)C2=CC=C(C=C2)Cl

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)C(=O)NC(CCN(C)C)C2=CC=C(C=C2)Cl

>  <InChI Std. ID>
InChI=1S/C20H25ClN2O/c1-14-5-6-15(2)18(13-14)20(24)22-19(11-12-23(3)4)16-7-9-17(21)10-8-16/h5-10,13,19H,11-12H2,1-4H3,(H,22,24)

>  <InChI Key>
AQJVDFLWJVOWJG-UHFFFAOYSA-N

