Chemical ID: 5595017

c1cc(cc(c1)NC(=O)c2cccc(c2)Br)C(=O)NN
Chemical ID:
5595017
Name [?]:
N-[3-(aminocarbamoyl)phenyl]-3-bromo-benzamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2cccc(c2)Br)C(=O)NN
InChi [?]:
InChI=1/C14H12BrN3O2/c15-11-5-1-3-9(7-11)13(19)17-12-6-2-4-10(8-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:12,1,11,2,13,6,15,4,10,3,14,5,8,17,16,20,7,19,9,18/rA:20nCCCCCCNCOCCCCCCBrCONN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s3;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12BrN3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.48668
Area:482.368
Solvation:-3.57251
Coulombic:-49.9087
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.168
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:2.2
LogP (Chemaxon):2.53

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