
 CHEMBL473442

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.7109    0.2220   -2.9251 C   0  0  0  0  0
    1.2937    0.1258   -3.4292 C   0  0  0  0  0
    0.4595    0.3137   -2.1682 C   0  0  0  0  0
    1.3079   -0.0259   -1.0485 O   0  0  0  0  0
    2.5911   -0.4095   -1.5583 C   0  0  0  0  0
   -0.1690    1.7074   -1.9600 C   0  0  0  0  0
    0.7876    2.8263   -1.8621 N   0  0  0  0  0
    1.2085    3.1854   -0.5069 C   0  0  0  0  0
    0.2139    4.0909    0.1581 C   0  0  0  0  0
   -0.8270    3.5622    1.1155 C   0  0  0  0  0
    0.3420    4.3446    1.6414 C   0  0  0  0  0
    1.0641    3.5182   -3.0474 C   0  0  0  0  0
    0.5221    3.2040   -4.1096 O   0  0  0  0  0
    1.9944    4.6797   -3.1318 C   0  0  0  0  0
    1.6494    5.6932   -4.0382 C   0  0  0  0  0
    2.5033    6.7758   -4.2750 C   0  0  0  0  0
    3.7339    6.8882   -3.6114 C   0  0  0  0  0
    4.0816    5.8564   -2.7207 C   0  0  0  0  0
    3.2398    4.7503   -2.5075 C   0  0  0  0  0
    4.6324    8.0344   -3.8653 C   0  0  0  0  0
    4.8749    8.4929   -5.1738 C   0  0  0  0  0
    5.7041    9.5929   -5.4066 C   0  0  0  0  0
    6.3162   10.2565   -4.3482 C   0  0  0  0  0
    6.0967    9.8161   -3.0450 C   0  0  0  0  0
    5.2627    8.7170   -2.8093 C   0  0  0  0  0
    5.9659   10.1367   -7.0194 Cl  0  0  0  0  0
    3.4374   -0.2841   -3.5661 H   0  0  0  0  0
    3.0101    1.2711   -2.8311 H   0  0  0  0  0
    1.1265   -0.8861   -3.8207 H   0  0  0  0  0
    1.0617    0.8149   -4.2422 H   0  0  0  0  0
   -0.3631   -0.4121   -2.1776 H   0  0  0  0  0
    3.3742   -0.0800   -0.8706 H   0  0  0  0  0
    2.6160   -1.5031   -1.6231 H   0  0  0  0  0
   -0.7618    1.6921   -1.0387 H   0  0  0  0  0
   -0.8766    1.9003   -2.7751 H   0  0  0  0  0
    2.1653    3.6969   -0.5091 H   0  0  0  0  0
    1.3528    2.2660    0.0710 H   0  0  0  0  0
   -0.0456    4.9418   -0.4613 H   0  0  0  0  0
   -0.8569    2.4987    1.3250 H   0  0  0  0  0
   -1.7999    4.0411    1.1243 H   0  0  0  0  0
    0.1603    5.3497    2.0041 H   0  0  0  0  0
    1.0968    3.8045    2.2031 H   0  0  0  0  0
    0.7158    5.6280   -4.5964 H   0  0  0  0  0
    2.1919    7.5295   -4.9959 H   0  0  0  0  0
    5.0421    5.8829   -2.2079 H   0  0  0  0  0
    3.6072    3.9384   -1.8891 H   0  0  0  0  0
    4.4206    7.9868   -6.0228 H   0  0  0  0  0
    6.9599   11.1129   -4.5316 H   0  0  0  0  0
    6.5689   10.3298   -2.2115 H   0  0  0  0  0
    5.0913    8.4073   -1.7798 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 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 26  1  0  0  0
 23 24  1  0  0  0
 23 48  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>
CHEMBL473442

>  <PubChem CID>
44572103

>  <Formula>
C22H24ClNO2

>  <Molecular Weight>
369.889000

>  <IUPAC Name>
4-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(OC1)CN(CC2CC2)C(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
C1CC(OC1)CN(CC2CC2)C(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C22H24ClNO2/c23-20-4-1-3-19(13-20)17-8-10-18(11-9-17)22(25)24(14-16-6-7-16)15-21-5-2-12-26-21/h1,3-4,8-11,13,16,21H,2,5-7,12,14-15H2

>  <InChI Key>
BYXAARAKDDDQLH-UHFFFAOYSA-N

