
 CHEMBL1672231

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.8764    3.0155    0.2319 C   0  0  0  0  0
    2.2276    3.4552    0.3490 O   0  0  0  0  0
    3.1417    2.4796    0.6849 C   0  0  0  0  0
    4.4733    2.7242    0.2934 C   0  0  0  0  0
    5.4383    1.7537    0.5579 C   0  0  0  0  0
    5.1007    0.5799    1.2345 C   0  0  0  0  0
    3.7973    0.3620    1.6852 C   0  0  0  0  0
    2.8170    1.3164    1.4051 C   0  0  0  0  0
    3.5791   -0.8175    2.4191 N   0  0  0  0  0
    2.4357   -1.2250    3.0885 C   0  0  0  0  0
    1.3550   -0.6462    3.1106 O   0  0  0  0  0
    2.7266   -2.4812    3.9311 C   0  0  0  0  0
    1.4944   -3.1503    4.5140 C   0  0  0  0  0
    1.9528   -4.5814    4.6439 C   0  0  0  0  0
    2.7824   -4.7464    3.3911 C   0  0  0  0  0
    3.4304   -3.4834    3.1709 O   0  0  0  0  0
    4.7636    3.9510   -0.3575 N   0  0  0  0  0
    6.0082    4.4326   -0.7136 C   0  0  0  0  0
    7.0730    3.8451   -0.5318 O   0  0  0  0  0
    6.0826    5.7575   -1.4028 C   0  0  0  0  0
    7.2061    5.9426   -2.2365 C   0  0  0  0  0
    7.4270    7.1467   -2.9074 C   0  0  0  0  0
    6.5258    8.1922   -2.7557 C   0  0  0  0  0
    5.4080    8.0286   -1.9355 C   0  0  0  0  0
    5.1822    6.8200   -1.2551 C   0  0  0  0  0
    3.7925    6.7716   -0.2307 Cl  0  0  0  0  0
    0.3107    3.8075   -0.2684 H   0  0  0  0  0
    0.4282    2.8596    1.2180 H   0  0  0  0  0
    0.7989    2.1131   -0.3850 H   0  0  0  0  0
    6.4719    1.8732    0.2530 H   0  0  0  0  0
    5.8883   -0.1447    1.4278 H   0  0  0  0  0
    1.8035    1.1622    1.7543 H   0  0  0  0  0
    4.3603   -1.4639    2.4907 H   0  0  0  0  0
    3.3984   -2.1765    4.7439 H   0  0  0  0  0
    0.6431   -3.0910    3.8258 H   0  0  0  0  0
    1.1888   -2.7079    5.4668 H   0  0  0  0  0
    2.5907   -4.6861    5.5301 H   0  0  0  0  0
    1.1354   -5.3024    4.7201 H   0  0  0  0  0
    3.5336   -5.5359    3.4817 H   0  0  0  0  0
    2.1504   -4.9603    2.5221 H   0  0  0  0  0
    3.9504    4.5477   -0.4895 H   0  0  0  0  0
    7.9314    5.1380   -2.3612 H   0  0  0  0  0
    8.3063    7.2642   -3.5370 H   0  0  0  0  0
    6.6967    9.1366   -3.2671 H   0  0  0  0  0
    4.7189    8.8633   -1.8162 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672231

>  <PubChem CID>
51003187

>  <Formula>
C19H19ClN2O4

>  <Molecular Weight>
374.821000

>  <IUPAC Name>
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]oxolane-2-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=CC(=C1)NC(=O)C2CCCO2)NC(=O)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)NC(=O)C2CCCO2)NC(=O)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C19H19ClN2O4/c1-25-17-11-12(21-19(24)16-7-4-10-26-16)8-9-15(17)22-18(23)13-5-2-3-6-14(13)20/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,21,24)(H,22,23)

>  <InChI Key>
IMVLLDUKTUXHTD-UHFFFAOYSA-N

