
 CHEMBL290641

 47 47  0  0  0  0  0  0  0  0999 V2000
    4.8385    4.5300    0.3034 C   0  0  0  0  0
    5.8237    3.6604    1.0828 C   0  0  0  0  0
    6.2796    4.1739    2.3880 N   0  0  0  0  0
    5.1889    4.2923    3.3802 C   0  0  0  0  0
    4.4344    2.9973    3.6617 C   0  0  0  0  0
    6.9685    5.4842    2.2958 C   0  0  0  0  0
    8.2137    5.5625    1.3968 C   0  0  0  0  0
    9.3424    4.7741    1.8655 N   0  0  0  0  0
   10.6278    5.1689    1.5553 C   0  0  0  0  0
   10.8673    6.2773    1.0797 O   0  0  0  0  0
   11.7557    4.2003    1.7308 C   0  0  0  0  0
   12.9237    4.5139    1.0077 C   0  0  0  0  0
   14.0374    3.6794    1.0462 C   0  0  0  0  0
   14.0256    2.5149    1.8208 C   0  0  0  0  0
   12.8411    2.1751    2.4906 C   0  0  0  0  0
   11.7213    3.0274    2.5083 C   0  0  0  0  0
   10.6057    2.7940    3.2714 O   0  0  0  0  0
   10.5441    1.6223    4.0727 C   0  0  0  0  0
   11.5457    1.4816    5.2247 C   0  0  0  0  0
   12.1980    0.4483    5.3800 O   0  0  0  0  0
   11.6395    2.6126    6.2114 C   0  0  0  0  0
   15.0748    1.5789    1.7744 N   0  0  0  0  0
   15.4398    4.1251    0.1391 Cl  0  0  0  0  0
    4.5028    3.9953   -0.5920 H   0  0  0  0  0
    5.3006    5.4646   -0.0287 H   0  0  0  0  0
    3.9469    4.7713    0.8893 H   0  0  0  0  0
    6.6952    3.4652    0.4473 H   0  0  0  0  0
    5.3794    2.6676    1.2188 H   0  0  0  0  0
    4.4697    5.0685    3.0899 H   0  0  0  0  0
    5.6239    4.6153    4.3348 H   0  0  0  0  0
    3.8229    2.6871    2.8090 H   0  0  0  0  0
    3.7557    3.1421    4.5093 H   0  0  0  0  0
    5.1221    2.1853    3.9174 H   0  0  0  0  0
    7.2890    5.7767    3.3047 H   0  0  0  0  0
    6.2603    6.2537    1.9617 H   0  0  0  0  0
    8.5159    6.6144    1.3353 H   0  0  0  0  0
    7.9969    5.2465    0.3713 H   0  0  0  0  0
    9.1710    3.8220    2.1697 H   0  0  0  0  0
   12.9607    5.4157    0.3977 H   0  0  0  0  0
   12.8333    1.2168    3.0008 H   0  0  0  0  0
   10.5976    0.7323    3.4335 H   0  0  0  0  0
    9.5486    1.6033    4.5324 H   0  0  0  0  0
   12.6274    2.5971    6.6815 H   0  0  0  0  0
   10.8684    2.4903    6.9750 H   0  0  0  0  0
   11.5191    3.5740    5.7081 H   0  0  0  0  0
   15.1614    1.0001    2.6052 H   0  0  0  0  0
   15.9621    1.9975    1.4981 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5 31  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  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  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 39  1  0  0  0
 13 14  2  0  0  0
 13 23  1  0  0  0
 14 15  1  0  0  0
 14 22  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL290641

>  <PubChem CID>
14116889

>  <Formula>
C16H24ClN3O3

>  <Molecular Weight>
341.836000

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

>  <XlogP>
2.400

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(=O)C)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(=O)C)N)Cl

>  <InChI Std. ID>
InChI=1S/C16H24ClN3O3/c1-4-20(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)23-10-11(3)21/h8-9H,4-7,10,18H2,1-3H3,(H,19,22)

>  <InChI Key>
MCNMUWHWVANETD-UHFFFAOYSA-N

