Chemical ID: 6962438

Cc1c(cccc1[N+](=O)[O-])NC(=O)c2ccc(cc2)Cl
Chemical ID:
6962438
Name [?]:
4-chloro-N-(2-methyl-3-nitro-phenyl)-benzamide
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H11ClN2O3/c1-9-12(3-2-4-13(9)17(19)20)16-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,15,19,16,18,2,14,17,3,7,12,20,11,8,13,9,10/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:20nCCCCCCCN+OO-NCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11ClN2O3
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.91075
Area:474.301
Solvation:-6.94677
Coulombic:-34.8316
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.702
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):3.39

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