Chemical ID: 6961050

c1ccc2c(c1)C(=O)N(C2=O)c3cccc(c3)NC(=O)c4ccco4
Chemical ID:
6961050
Name [?]:
N-[3-(1,3-dioxoisoindolin-2-yl)phenyl]furan-2-carboxamide
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)c3cccc(c3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C19H12N2O4/c22-17(16-9-4-10-25-16)20-12-5-3-6-13(11-12)21-18(23)14-7-1-2-8-15(14)19(21)24/h1-11H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,23,15,13,6,3,22,24,17,16,12,5,4,21,19,7,10,18,9,20,8,11,25/E:(1,2)(7,8)(14,15)(18,19)(23,24)/rA:25nCCCCCCCONCOCCCCCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12N2O4
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.88164
Area:525.113
Solvation:-3.24618
Coulombic:-57.1086
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.31
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.37
LogP (Chemaxon):2.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue