Chemical ID: 7274862

Cc1ccc(c(c1)Br)NC(=O)c2cc(cc(c2)C)C
Chemical ID:
7274862
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3,5-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cc(cc(c2)C)C
InChi [?]:
InChI=1/C16H16BrNO/c1-10-4-5-15(14(17)9-10)18-16(19)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,3,4,15,17,13,7,2,16,14,12,6,5,10,8,9,11/E:(2,3)(7,8)(11,12)/rA:19nCCCCCCCBrNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16BrNO
All Atoms:35
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.3295
Area:469.796
Solvation:-1.41538
Coulombic:-23.6944
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:318.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.1
LogP (Chemaxon):4.65

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