
 CHEMBL3634432

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.3799   -0.0122    1.1825 C   0  0  0  0  0
    1.8427    0.1868    1.0199 C   0  0  0  0  0
    2.5009    1.3992    0.8612 C   0  0  0  0  0
    3.8443    1.1809    0.6984 O   0  0  0  0  0
    4.0443   -0.1586    0.7908 C   0  0  0  0  0
    2.8516   -0.8137    0.9807 C   0  0  0  0  0
    1.9872    2.7590    0.8482 C   0  0  0  0  0
    0.8518    3.0200    1.2314 O   0  0  0  0  0
    2.8804    3.6801    0.3218 N   0  0  0  0  0
    2.6658    5.0607    0.1282 C   0  0  0  0  0
    1.5786    5.7550    0.6690 C   0  0  0  0  0
    1.3995    7.1246    0.4325 C   0  0  0  0  0
    2.3392    7.8216   -0.3505 C   0  0  0  0  0
    3.4110    7.1194   -0.9185 C   0  0  0  0  0
    3.5860    5.7557   -0.6600 C   0  0  0  0  0
    2.2078    9.2112   -0.5751 N   0  0  0  0  0
    1.9704   10.1304    0.4213 C   0  0  0  0  0
    1.9376   10.0204    1.6346 O   0  0  0  0  0
    1.8849   11.4317   -0.2327 C   0  0  0  0  0
    2.1155   11.2420   -1.5803 C   0  0  0  0  0
    2.3772    9.8226   -1.7957 C   0  0  0  0  0
    2.6708    9.3497   -2.8772 O   0  0  0  0  0
    2.0796   12.3016   -2.4556 C   0  0  0  0  0
    1.8289   13.5781   -1.9472 C   0  0  0  0  0
    1.6252   13.7708   -0.5672 C   0  0  0  0  0
    1.6514   12.6836    0.3108 C   0  0  0  0  0
    2.2718   12.1374   -3.7688 F   0  0  0  0  0
    0.2914    7.8318    0.8330 O   0  0  0  0  0
   -0.6654    7.1602    1.6429 C   0  0  0  0  0
   -0.1674    0.4980    0.3825 H   0  0  0  0  0
    0.0411    0.3867    2.1437 H   0  0  0  0  0
    0.1174   -1.0737    1.1403 H   0  0  0  0  0
    5.0702   -0.4884    0.7013 H   0  0  0  0  0
    2.7204   -1.8830    1.0771 H   0  0  0  0  0
    3.7432    3.2832   -0.0345 H   0  0  0  0  0
    0.8597    5.2268    1.2803 H   0  0  0  0  0
    4.1410    7.6323   -1.5412 H   0  0  0  0  0
    4.4400    5.2481   -1.1019 H   0  0  0  0  0
    1.7966   14.4250   -2.6281 H   0  0  0  0  0
    1.4450   14.7734   -0.1831 H   0  0  0  0  0
    1.4985   12.8099    1.3788 H   0  0  0  0  0
   -1.4618    7.8727    1.8780 H   0  0  0  0  0
   -0.2211    6.8318    2.5880 H   0  0  0  0  0
   -1.1222    6.3232    1.1043 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  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 33  1  0  0  0
  6 34  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 36  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 37  1  0  0  0
 15 38  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 39  1  0  0  0
 25 26  2  0  0  0
 25 40  1  0  0  0
 26 41  1  0  0  0
 28 29  1  0  0  0
 29 42  1  0  0  0
 29 43  1  0  0  0
 29 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3634432

>  <PubChem CID>
122196110

>  <Formula>
C21H15FN2O5

>  <Molecular Weight>
394.358000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C21H15FN2O5/c1-11-8-9-29-18(11)19(25)23-12-6-7-15(16(10-12)28-2)24-20(26)13-4-3-5-14(22)17(13)21(24)27/h3-10H,1-2H3,(H,23,25)

>  <InChI Key>
CCXWRFYLVHVVKD-UHFFFAOYSA-N

