
 CHEMBL39623

 52 53  0  0  0  0  0  0  0  0999 V2000
    9.2341    9.3711   -5.3448 C   0  0  0  0  0
    9.9710   10.5499   -4.7124 C   0  0  0  0  0
    9.9558   10.5368   -3.2345 N   0  0  0  0  0
   10.4643   11.8138   -2.6829 C   0  0  0  0  0
    9.7014   13.0604   -3.1305 C   0  0  0  0  0
   10.7658    9.3995   -2.7186 C   0  0  0  0  0
   10.7011    9.1830   -1.1932 C   0  0  0  0  0
   11.4304    7.9976   -0.7688 N   0  0  0  0  0
   12.7791    8.0396   -0.5026 C   0  0  0  0  0
   13.4491    9.0597   -0.6389 O   0  0  0  0  0
   13.4165    6.8034    0.0450 C   0  0  0  0  0
   14.5535    7.0170    0.8430 C   0  0  0  0  0
   15.2241    5.9459    1.4274 C   0  0  0  0  0
   14.7708    4.6329    1.2441 C   0  0  0  0  0
   13.6810    4.4214    0.3872 C   0  0  0  0  0
   12.9608    5.4886   -0.1776 C   0  0  0  0  0
   11.9038    5.2978   -1.0302 O   0  0  0  0  0
   11.0373    4.1819   -0.7783 C   0  0  0  0  0
   10.3428    3.7315   -2.0452 C   0  0  0  0  0
   10.9198    3.9122   -3.3105 C   0  0  0  0  0
   10.2969    3.4086   -4.4549 C   0  0  0  0  0
    9.0979    2.7071   -4.3477 C   0  0  0  0  0
    8.5193    2.5087   -3.0966 C   0  0  0  0  0
    9.1390    3.0143   -1.9518 C   0  0  0  0  0
   15.5080    3.5229    1.6964 N   0  0  0  0  0
   16.6104    6.2713    2.4081 Cl  0  0  0  0  0
    9.7523    8.4215   -5.1874 H   0  0  0  0  0
    8.2164    9.2858   -4.9496 H   0  0  0  0  0
    9.1592    9.5212   -6.4274 H   0  0  0  0  0
    9.4527   11.4400   -5.0834 H   0  0  0  0  0
   10.9984   10.5960   -5.0945 H   0  0  0  0  0
   11.5285   11.9436   -2.9164 H   0  0  0  0  0
   10.3705   11.7922   -1.5922 H   0  0  0  0  0
    9.9825   13.9132   -2.5028 H   0  0  0  0  0
    8.6193   12.9211   -3.0391 H   0  0  0  0  0
    9.9370   13.3327   -4.1638 H   0  0  0  0  0
   11.8123    9.5042   -3.0334 H   0  0  0  0  0
   10.4023    8.4660   -3.1621 H   0  0  0  0  0
    9.6632    9.0546   -0.8683 H   0  0  0  0  0
   11.1219   10.0394   -0.6565 H   0  0  0  0  0
   10.9579    7.1020   -0.7688 H   0  0  0  0  0
   14.9166    8.0311    1.0093 H   0  0  0  0  0
   13.4436    3.3919    0.1398 H   0  0  0  0  0
   10.2901    4.5089   -0.0457 H   0  0  0  0  0
   11.5472    3.3013   -0.3816 H   0  0  0  0  0
   11.8661    4.4392   -3.4166 H   0  0  0  0  0
   10.7539    3.5562   -5.4302 H   0  0  0  0  0
    8.6190    2.3091   -5.2386 H   0  0  0  0  0
    7.5896    1.9518   -3.0113 H   0  0  0  0  0
    8.6801    2.8317   -0.9824 H   0  0  0  0  0
   14.9603    2.6851    1.8632 H   0  0  0  0  0
   16.1209    3.7514    2.4782 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
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 14  2  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL39623

>  <PubChem CID>
211484

>  <Formula>
C20H26ClN3O2

>  <Molecular Weight>
375.897000

>  <IUPAC Name>
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-phenylmethoxybenzamide

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC2=CC=CC=C2)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC2=CC=CC=C2)N)Cl

>  <InChI Std. ID>
InChI=1S/C20H26ClN3O2/c1-3-24(4-2)11-10-23-20(25)16-12-17(21)18(22)13-19(16)26-14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14,22H2,1-2H3,(H,23,25)

>  <InChI Key>
RNDGARWUQSIOQW-UHFFFAOYSA-N

