Chemical ID: 5733641

Cc1ccc(c(c1)Br)NC(=O)c2ccc(cc2)C#N
Chemical ID:
5733641
Name [?]:
N-(2-bromo-4-methyl-phenyl)-4-cyano-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H11BrN2O/c1-10-2-7-14(13(16)8-10)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,16,13,17,4,7,18,2,15,12,6,5,10,8,19,9,11/E:(3,4)(5,6)/rA:19nCCCCCCCBrNCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrN2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.72143
Area:467.8
Solvation:-1.97357
Coulombic:-26.5179
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.165
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.95
LogP (Chemaxon):3.53

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