
 CHEMBL290027

 46 46  0  0  0  0  0  0  0  0999 V2000
    0.1780    2.0477    0.1167 C   0  0  0  0  0
    1.6880    1.8327    0.0690 C   0  0  0  0  0
    2.4849    2.9401    0.6274 N   0  0  0  0  0
    2.1339    3.2974    2.0093 C   0  0  0  0  0
    2.3430    2.2089    3.0568 C   0  0  0  0  0
    3.9243    2.6710    0.4214 C   0  0  0  0  0
    4.8905    3.7792    0.8804 C   0  0  0  0  0
    6.2729    3.4694    0.5455 N   0  0  0  0  0
    7.2181    4.4647    0.4227 C   0  0  0  0  0
    6.9565    5.6562    0.5069 O   0  0  0  0  0
    8.6103    4.0353    0.1090 C   0  0  0  0  0
    9.3633    4.9140   -0.6845 C   0  0  0  0  0
   10.6621    4.5804   -1.0623 C   0  0  0  0  0
   11.2209    3.3444   -0.6991 C   0  0  0  0  0
   10.4874    2.5053    0.1512 C   0  0  0  0  0
    9.1911    2.8429    0.5736 C   0  0  0  0  0
    8.4576    2.0605    1.4319 O   0  0  0  0  0
    9.2113    1.2069    2.3098 C   0  0  0  0  0
    8.3331    0.8640    3.5097 C   0  0  0  0  0
    8.1089    2.0244    4.3074 O   0  0  0  0  0
   12.5646    3.0287   -0.9724 N   0  0  0  0  0
   11.5527    5.6980   -2.0352 Cl  0  0  0  0  0
   -0.3278    1.2502   -0.4383 H   0  0  0  0  0
   -0.1022    3.0028   -0.3388 H   0  0  0  0  0
   -0.2059    2.0213    1.1411 H   0  0  0  0  0
    1.9553    1.7108   -0.9886 H   0  0  0  0  0
    1.9309    0.8844    0.5639 H   0  0  0  0  0
    1.0890    3.6276    2.0474 H   0  0  0  0  0
    2.6931    4.1909    2.3099 H   0  0  0  0  0
    1.6973    1.3445    2.8750 H   0  0  0  0  0
    2.0957    2.6002    4.0492 H   0  0  0  0  0
    3.3816    1.8673    3.0880 H   0  0  0  0  0
    4.0935    2.5257   -0.6546 H   0  0  0  0  0
    4.2120    1.7267    0.9016 H   0  0  0  0  0
    4.8634    3.9049    1.9674 H   0  0  0  0  0
    4.6160    4.7354    0.4208 H   0  0  0  0  0
    6.6033    2.5163    0.6421 H   0  0  0  0  0
    8.9302    5.8591   -1.0078 H   0  0  0  0  0
   10.9558    1.5829    0.4805 H   0  0  0  0  0
   10.1118    1.7182    2.6710 H   0  0  0  0  0
    9.4763    0.2897    1.7730 H   0  0  0  0  0
    8.8230    0.1155    4.1394 H   0  0  0  0  0
    7.3580    0.4824    3.1928 H   0  0  0  0  0
    7.8060    2.7313    3.7076 H   0  0  0  0  0
   12.7655    2.0366   -1.0407 H   0  0  0  0  0
   12.9396    3.5587   -1.7585 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  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 38  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 21  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL290027

>  <PubChem CID>
14116907

>  <Formula>
C15H24ClN3O3

>  <Molecular Weight>
329.825000

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

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCO)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCO)N)Cl

>  <InChI Std. ID>
InChI=1S/C15H24ClN3O3/c1-3-19(4-2)6-5-18-15(21)11-9-12(16)13(17)10-14(11)22-8-7-20/h9-10,20H,3-8,17H2,1-2H3,(H,18,21)

>  <InChI Key>
JYSBWWBKJZCBFN-UHFFFAOYSA-N

