
 CHEMBL3628113

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.4568   -0.0756    1.3348 C   0  0  0  0  0
    1.8978    0.1911    1.0960 C   0  0  0  0  0
    2.4998    1.4292    0.9161 C   0  0  0  0  0
    3.8424    1.2613    0.6860 O   0  0  0  0  0
    4.0981   -0.0691    0.7513 C   0  0  0  0  0
    2.9423   -0.7700    0.9941 C   0  0  0  0  0
    1.9522    2.7766    0.9295 C   0  0  0  0  0
    0.8197    3.0191    1.3355 O   0  0  0  0  0
    2.8292    3.7138    0.4078 N   0  0  0  0  0
    2.6260    5.0975    0.2484 C   0  0  0  0  0
    1.5202    5.7836    0.7476 C   0  0  0  0  0
    1.3840    7.1650    0.5486 C   0  0  0  0  0
    2.3558    7.8876   -0.1671 C   0  0  0  0  0
    3.4831    7.1958   -0.6331 C   0  0  0  0  0
    3.6105    5.8154   -0.4360 C   0  0  0  0  0
    2.2417    9.2777   -0.4100 N   0  0  0  0  0
    1.1093    9.8804   -0.9074 C   0  0  0  0  0
    0.0734    9.4072   -1.3368 O   0  0  0  0  0
    1.4011   11.3081   -0.9836 C   0  0  0  0  0
    2.7193   11.4876   -0.6154 C   0  0  0  0  0
    3.2799   10.1756   -0.3072 C   0  0  0  0  0
    4.4485    9.9944   -0.0127 O   0  0  0  0  0
    3.2758   12.7442   -0.5801 C   0  0  0  0  0
    2.4801   13.8351   -0.9362 C   0  0  0  0  0
    1.1410   13.6447   -1.3296 C   0  0  0  0  0
    0.5862   12.3620   -1.3584 C   0  0  0  0  0
    4.5443   12.9422   -0.2069 F   0  0  0  0  0
    0.0808    7.9405    1.3914 Cl  0  0  0  0  0
   -0.1675    0.5240    0.6643 H   0  0  0  0  0
    0.1892    0.1634    2.3683 H   0  0  0  0  0
    0.2181   -1.1287    1.1531 H   0  0  0  0  0
    5.1299   -0.3572    0.6049 H   0  0  0  0  0
    2.8576   -1.8444    1.0843 H   0  0  0  0  0
    3.7029    3.3260    0.0667 H   0  0  0  0  0
    0.7603    5.2752    1.3329 H   0  0  0  0  0
    4.2649    7.7133   -1.1862 H   0  0  0  0  0
    4.4890    5.3139   -0.8370 H   0  0  0  0  0
    2.9043   14.8357   -0.9072 H   0  0  0  0  0
    0.5342   14.5040   -1.6100 H   0  0  0  0  0
   -0.4445   12.1940   -1.6581 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 21  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 26  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 38  1  0  0  0
 25 26  2  0  0  0
 25 39  1  0  0  0
 26 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3628113

>  <PubChem CID>
122193177

>  <Formula>
C20H12ClFN2O4

>  <Molecular Weight>
398.774000

>  <IUPAC Name>
N-[3-chloro-4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)F)Cl

>  <Isomeric SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)F)Cl

>  <InChI Std. ID>
InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)

>  <InChI Key>
HHRZBUWNLICHOO-UHFFFAOYSA-N

