
 CHEMBL41777

 45 45  0  0  0  0  0  0  0  0999 V2000
   10.4475    3.7580   -0.1198 C   0  0  0  0  0
    9.0323    3.9340    0.4272 C   0  0  0  0  0
    8.0891    2.8209    0.2110 N   0  0  0  0  0
    8.3945    1.6325    1.0262 C   0  0  0  0  0
    8.2262    1.8721    2.5236 C   0  0  0  0  0
    7.9539    2.4328   -1.2142 C   0  0  0  0  0
    7.4576    3.5777   -2.1262 C   0  0  0  0  0
    7.1929    3.1798   -3.5151 N   0  0  0  0  0
    5.8097    3.2595   -3.9648 C   0  0  0  0  0
    8.2985    2.8447   -4.3118 C   0  0  0  0  0
    9.4393    2.8034   -3.8546 O   0  0  0  0  0
    8.1219    2.4950   -5.7435 C   0  0  0  0  0
    7.2271    1.4800   -6.1039 C   0  0  0  0  0
    7.0782    1.1354   -7.4471 C   0  0  0  0  0
    7.8811    1.7228   -8.4408 C   0  0  0  0  0
    8.7677    2.7418   -8.0653 C   0  0  0  0  0
    8.9053    3.1310   -6.7254 C   0  0  0  0  0
    9.7332    4.1389   -6.3064 O   0  0  0  0  0
   10.6291    4.7102   -7.2505 C   0  0  0  0  0
    7.6656    1.4801   -9.8104 N   0  0  0  0  0
    5.8967   -0.0575   -7.8621 Cl  0  0  0  0  0
   10.9200    2.8431    0.2477 H   0  0  0  0  0
   11.0718    4.6003    0.1961 H   0  0  0  0  0
   10.4582    3.7400   -1.2143 H   0  0  0  0  0
    9.0993    4.1625    1.4963 H   0  0  0  0  0
    8.6056    4.8474   -0.0042 H   0  0  0  0  0
    9.3993    1.2460    0.8212 H   0  0  0  0  0
    7.6931    0.8308    0.7629 H   0  0  0  0  0
    7.2556    2.3291    2.7447 H   0  0  0  0  0
    9.0143    2.5149    2.9280 H   0  0  0  0  0
    8.2756    0.9197    3.0617 H   0  0  0  0  0
    7.2147    1.6261   -1.2896 H   0  0  0  0  0
    8.8949    2.0136   -1.5852 H   0  0  0  0  0
    8.1993    4.3835   -2.1687 H   0  0  0  0  0
    6.5426    4.0033   -1.6993 H   0  0  0  0  0
    5.2917    2.3558   -3.6358 H   0  0  0  0  0
    5.7337    3.3572   -5.0478 H   0  0  0  0  0
    5.3266    4.1347   -3.5209 H   0  0  0  0  0
    6.6426    0.9680   -5.3449 H   0  0  0  0  0
    9.3339    3.2355   -8.8480 H   0  0  0  0  0
   11.2663    5.4232   -6.7188 H   0  0  0  0  0
   10.0803    5.2642   -8.0185 H   0  0  0  0  0
   11.2794    3.9519   -7.6973 H   0  0  0  0  0
    8.4889    1.6052  -10.3928 H   0  0  0  0  0
    7.1974    0.5935   -9.9840 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 21  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL41777

>  <PubChem CID>
14116946

>  <Formula>
C15H24ClN3O2

>  <Molecular Weight>
313.826000

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

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)CCN(C)C(=O)C1=CC(=C(C=C1OC)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCN(C)C(=O)C1=CC(=C(C=C1OC)N)Cl

>  <InChI Std. ID>
InChI=1S/C15H24ClN3O2/c1-5-19(6-2)8-7-18(3)15(20)11-9-12(16)13(17)10-14(11)21-4/h9-10H,5-8,17H2,1-4H3

>  <InChI Key>
JEUCSMQOUIJAHU-UHFFFAOYSA-N

