Chemical ID: 7029113

Cc1cccc(c1NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])C
Chemical ID:
7029113
Name [?]:
N-(2,6-dimethylphenyl)-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])C
InChi [?]:
InChI=1/C19H16N2O4/c1-12-4-3-5-13(2)18(12)20-19(22)17-11-10-16(25-17)14-6-8-15(9-7-14)21(23)24/h3-11H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,4,3,5,17,21,18,20,13,12,2,6,16,19,14,11,7,9,8,22,10,23,24,15/E:(1,2)(4,5)(6,7)(8,9)(12,13)(23,24)/CRV:21.5/rA:25nCCCCCCCNCOCCCCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O4
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.78082
Area:549.359
Solvation:-7.95317
Coulombic:-43.1501
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.341
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.87
LogP (Chemaxon):3.09

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Descriptor Annotations

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