Chemical ID: 6383244

Cc1ccc(cc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)Cl
Chemical ID:
6383244
Name [?]:
N-(5-chloro-2-methyl-phenyl)-4-methyl-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(c(c2)[N+](=O)[O-])C)Cl
InChi [?]:
InChI=1/C15H13ClN2O3/c1-9-4-6-12(16)8-13(9)17-15(19)11-5-3-10(2)14(7-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,13,3,12,4,16,6,2,14,11,5,7,15,9,21,8,17,10,18,19/E:(20,21)/CRV:18.5/rA:21nCCCCCCCNCOCCCCCCN+OO-CCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.31817
Area:494.12
Solvation:-7.03483
Coulombic:-33.9059
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:3.84
LogP (Chemaxon):3.86

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