
 CHEMBL3634421

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.1971    0.2364    1.4076 C   0  0  0  0  0
    1.2498    0.3473    1.0925 C   0  0  0  0  0
    1.9667    1.5154    0.8701 C   0  0  0  0  0
    3.2715    1.2088    0.5760 O   0  0  0  0  0
    3.3899   -0.1413    0.6384 C   0  0  0  0  0
    2.1815   -0.7175    0.9455 C   0  0  0  0  0
    1.5561    2.9105    0.8963 C   0  0  0  0  0
    0.4687    3.2610    1.3430 O   0  0  0  0  0
    2.5009    3.7602    0.3449 N   0  0  0  0  0
    2.4121    5.1542    0.1714 C   0  0  0  0  0
    1.3509    5.9307    0.6244 C   0  0  0  0  0
    1.3475    7.3153    0.4250 C   0  0  0  0  0
    2.3841    7.9761   -0.2504 C   0  0  0  0  0
    3.4522    7.1809   -0.6929 C   0  0  0  0  0
    3.4663    5.7920   -0.4852 C   0  0  0  0  0
    2.3823    9.3889   -0.4464 N   0  0  0  0  0
    3.5048   10.1481   -0.6939 C   0  0  0  0  0
    4.6806    9.8458   -0.8029 O   0  0  0  0  0
    3.0714   11.5379   -0.7822 C   0  0  0  0  0
    1.7052   11.5608   -0.6139 C   0  0  0  0  0
    1.2507   10.1835   -0.4770 C   0  0  0  0  0
    0.0696    9.8966   -0.5270 O   0  0  0  0  0
    1.0126   12.7493   -0.6268 C   0  0  0  0  0
    1.7258   13.9347   -0.8161 C   0  0  0  0  0
    3.1213   13.9058   -0.9979 C   0  0  0  0  0
    3.8124   12.6906   -0.9804 C   0  0  0  0  0
   -0.3126   12.7957   -0.4549 F   0  0  0  0  0
    0.3562    7.9995    1.0120 F   0  0  0  0  0
   -0.7896    0.8722    0.7414 H   0  0  0  0  0
   -0.3883    0.5408    2.4412 H   0  0  0  0  0
   -0.5492   -0.7924    1.2817 H   0  0  0  0  0
    4.3769   -0.5366    0.4415 H   0  0  0  0  0
    1.9900   -1.7771    1.0487 H   0  0  0  0  0
    3.3368    3.2962    0.0045 H   0  0  0  0  0
    0.5112    5.5119    1.1682 H   0  0  0  0  0
    4.2953    7.6092   -1.2296 H   0  0  0  0  0
    4.3178    5.2235   -0.8536 H   0  0  0  0  0
    1.1912   14.8815   -0.8239 H   0  0  0  0  0
    3.6642   14.8371   -1.1502 H   0  0  0  0  0
    4.8895   12.6485   -1.1151 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>
CHEMBL3634421

>  <PubChem CID>
122196098

>  <Formula>
C20H12F2N2O4

>  <Molecular Weight>
382.323000

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

>  <XlogP>
3.3

>  <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)F

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

>  <InChI Std. ID>
InChI=1S/C20H12F2N2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(14(22)9-11)24-19(26)12-3-2-4-13(21)16(12)20(24)27/h2-9H,1H3,(H,23,25)

>  <InChI Key>
ACBDSZDCBYPWDD-UHFFFAOYSA-N

