Chemical ID: 4221697

Cc1ccc(c(c1)Br)NC(=O)c2ccc(c(c2)C)[N+](=O)[O-]
Chemical ID:
4221697
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3-methyl-4-nitro-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccc(c(c2)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13BrN2O3/c1-9-3-5-13(12(16)7-9)17-15(19)11-4-6-14(18(20)21)10(2)8-11/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,18,3,13,4,14,7,17,2,16,12,6,5,15,10,8,9,19,11,20,21/E:(20,21)/CRV:18.5/rA:21nCCCCCCCBrNCOCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.2895
Area:490.243
Solvation:-6.96657
Coulombic:-34.3493
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:349.179
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.22
LogP (Chemaxon):4.13

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