Chemical ID: 4210000

Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccc(c(c2)Cl)C
Chemical ID:
4210000
Name [?]:
3-chloro-4-methyl-N-(4-methyl-2-nitro-phenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccc(c(c2)Cl)C
InChi [?]:
InChI=1/C15H13ClN2O3/c1-9-3-6-13(14(7-9)18(20)21)17-15(19)11-5-4-10(2)12(16)8-11/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,21,3,16,15,4,7,19,2,17,14,18,5,6,12,20,11,8,13,9,10/E:(20,21)/CRV:18.5/rA:21nCCCCCCCN+OO-NCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.72371
Area:489.113
Solvation:-5.50411
Coulombic:-37.2555
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.728
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.69
LogP (Chemaxon):4.51

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