
 CHEMBL186601

 54 56  0  0  0  0  0  0  0  0999 V2000
    6.2905    1.1115    4.9390 C   0  0  0  0  0
    7.3247    0.7234    3.9735 N   0  0  0  0  0
    8.3262   -0.1142    4.6406 C   0  0  0  0  0
    6.7397   -0.0111    2.8266 C   0  0  0  0  0
    5.8390    0.8616    1.9353 C   0  0  0  0  0
    6.5288    2.0592    1.4965 N   0  0  0  0  0
    5.8957    2.9983    0.7158 C   0  0  0  0  0
    4.7395    2.8868    0.3242 O   0  0  0  0  0
    6.6904    4.2086    0.3749 C   0  0  0  0  0
    6.0181    5.4102    0.1384 C   0  0  0  0  0
    6.7365    6.5576   -0.2122 C   0  0  0  0  0
    8.1306    6.5146   -0.3555 C   0  0  0  0  0
    8.7954    5.3083   -0.1313 C   0  0  0  0  0
    8.0815    4.1601    0.2361 C   0  0  0  0  0
    8.7741    7.7160   -0.7176 N   0  0  0  0  0
   10.1176    7.9131   -0.9850 C   0  0  0  0  0
   10.9999    7.0607   -0.9677 O   0  0  0  0  0
   10.5007    9.3300   -1.2720 C   0  0  0  0  0
   11.7805    9.7590   -0.9085 C   0  0  0  0  0
   12.1472   11.1026   -1.0596 C   0  0  0  0  0
   11.2524   12.0500   -1.5865 C   0  0  0  0  0
    9.9951   11.5840   -2.0116 C   0  0  0  0  0
    9.6205   10.2428   -1.8617 C   0  0  0  0  0
   11.6017   13.4859   -1.6636 C   0  0  0  0  0
   10.6571   14.4778   -1.3368 C   0  0  0  0  0
   10.9776   15.8375   -1.3868 C   0  0  0  0  0
   12.2570   16.2368   -1.7572 C   0  0  0  0  0
   13.2118   15.2775   -2.0820 C   0  0  0  0  0
   12.8858   13.9172   -2.0391 C   0  0  0  0  0
    5.5912    1.8316    4.5028 H   0  0  0  0  0
    6.7396    1.6137    5.8035 H   0  0  0  0  0
    5.7207    0.2486    5.3026 H   0  0  0  0  0
    8.7746    0.4198    5.4862 H   0  0  0  0  0
    9.1456   -0.3533    3.9539 H   0  0  0  0  0
    7.8996   -1.0528    5.0127 H   0  0  0  0  0
    6.1807   -0.8929    3.1638 H   0  0  0  0  0
    7.5621   -0.3736    2.1951 H   0  0  0  0  0
    4.9225    1.1585    2.4561 H   0  0  0  0  0
    5.5377    0.3011    1.0430 H   0  0  0  0  0
    7.3351    2.3320    2.0486 H   0  0  0  0  0
    4.9341    5.4545    0.2236 H   0  0  0  0  0
    6.1844    7.4772   -0.3885 H   0  0  0  0  0
    9.8733    5.2256   -0.2321 H   0  0  0  0  0
    8.6262    3.2307    0.3789 H   0  0  0  0  0
    8.1758    8.5297   -0.7344 H   0  0  0  0  0
   12.4910    9.0557   -0.4776 H   0  0  0  0  0
   13.1375   11.4058   -0.7251 H   0  0  0  0  0
    9.2850   12.2714   -2.4687 H   0  0  0  0  0
    8.6430    9.9382   -2.2236 H   0  0  0  0  0
    9.6547   14.1988   -1.0186 H   0  0  0  0  0
   10.2279   16.5808   -1.1283 H   0  0  0  0  0
   12.5101   17.2932   -1.7904 H   0  0  0  0  0
   14.2137   15.5857   -2.3698 H   0  0  0  0  0
   13.6520   13.1945   -2.3114 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 18  1  0  0  0
 16 17  2  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
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 26 27  2  0  0  0
 26 51  1  0  0  0
 27 28  1  0  0  0
 27 52  1  0  0  0
 28 29  2  0  0  0
 28 53  1  0  0  0
 29 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL186601

>  <PubChem CID>
10385550

>  <Formula>
C24H25N3O2

>  <Molecular Weight>
387.483000

>  <IUPAC Name>
N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H25N3O2/c1-27(2)17-16-25-23(28)20-12-14-22(15-13-20)26-24(29)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)

>  <InChI Key>
AJQUGUQYKMEIFI-UHFFFAOYSA-N

