
 CHEMBL41369

 49 49  0  0  0  0  0  0  0  0999 V2000
    3.5973    6.7694    2.6102 C   0  0  0  0  0
    3.0107    6.4322    1.2436 C   0  0  0  0  0
    3.6998    5.3202    0.5683 N   0  0  0  0  0
    2.8669    4.7436   -0.5000 C   0  0  0  0  0
    2.4672    5.6929   -1.6260 C   0  0  0  0  0
    5.0678    5.6805    0.1395 C   0  0  0  0  0
    5.8730    4.5290   -0.4966 C   0  0  0  0  0
    7.2612    4.8863   -0.7422 N   0  0  0  0  0
    8.2561    3.9322   -0.7290 C   0  0  0  0  0
    8.0678    2.7675   -0.3925 O   0  0  0  0  0
    9.6326    4.3713   -1.1060 C   0  0  0  0  0
   10.6919    3.6428   -0.5426 C   0  0  0  0  0
   12.0127    3.9878   -0.8250 C   0  0  0  0  0
   12.3084    5.0931   -1.6365 C   0  0  0  0  0
   11.2463    5.7723   -2.2496 C   0  0  0  0  0
    9.9092    5.4208   -1.9988 C   0  0  0  0  0
    8.8463    6.0570   -2.5899 O   0  0  0  0  0
    9.1065    6.7084   -3.8420 C   0  0  0  0  0
    7.7767    7.0243   -4.5241 C   0  0  0  0  0
    7.1130    8.0688   -3.8055 O   0  0  0  0  0
    5.8954    8.4432   -4.4369 C   0  0  0  0  0
   13.6264    5.3965   -2.0285 N   0  0  0  0  0
   13.2812    3.0538   -0.1116 Cl  0  0  0  0  0
    2.9562    7.4982    3.1180 H   0  0  0  0  0
    4.5937    7.2128    2.5310 H   0  0  0  0  0
    3.6588    5.8796    3.2451 H   0  0  0  0  0
    3.0036    7.3335    0.6185 H   0  0  0  0  0
    1.9623    6.1552    1.4157 H   0  0  0  0  0
    1.9511    4.3406   -0.0478 H   0  0  0  0  0
    3.3603    3.8647   -0.9288 H   0  0  0  0  0
    1.7800    6.4671   -1.2694 H   0  0  0  0  0
    1.9496    5.1353   -2.4137 H   0  0  0  0  0
    3.3341    6.1802   -2.0811 H   0  0  0  0  0
    5.6393    6.0077    1.0160 H   0  0  0  0  0
    5.0502    6.5341   -0.5493 H   0  0  0  0  0
    5.4583    4.2512   -1.4709 H   0  0  0  0  0
    5.8359    3.6457    0.1513 H   0  0  0  0  0
    7.4637    5.7628   -1.2147 H   0  0  0  0  0
   10.4817    2.8031    0.1171 H   0  0  0  0  0
   11.4892    6.5846   -2.9269 H   0  0  0  0  0
    9.6856    6.0475   -4.4982 H   0  0  0  0  0
    9.6507    7.6411   -3.6551 H   0  0  0  0  0
    7.1352    6.1362   -4.5374 H   0  0  0  0  0
    7.9656    7.3593   -5.5502 H   0  0  0  0  0
    5.4286    9.2328   -3.8426 H   0  0  0  0  0
    5.2118    7.5906   -4.4875 H   0  0  0  0  0
    6.0900    8.8313   -5.4415 H   0  0  0  0  0
   13.7862    6.3735   -2.2513 H   0  0  0  0  0
   14.3194    5.0276   -1.3780 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 20  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL41369

>  <PubChem CID>
14116937

>  <Formula>
C16H26ClN3O3

>  <Molecular Weight>
343.852000

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

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCOC)N)Cl

>  <Isomeric SMILES>
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCCOC)N)Cl

>  <InChI Std. ID>
InChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(21)12-10-13(17)14(18)11-15(12)23-9-8-22-3/h10-11H,4-9,18H2,1-3H3,(H,19,21)

>  <InChI Key>
OMSUUTLTLCFHGV-UHFFFAOYSA-N

