Chemical ID: 4173517

Cc1ccc(c(c1)Br)NC(=O)c2cccc(c2)Cl
Chemical ID:
4173517
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3-chloro-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C14H11BrClNO/c1-9-5-6-13(12(15)7-9)17-14(18)10-3-2-4-11(16)8-10/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,4,7,17,2,12,16,6,5,10,8,18,9,11/rA:18nCCCCCCCBrNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.0244
Area:460.539
Solvation:-1.48909
Coulombic:-23.9708
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.6
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.85
LogP (Chemaxon):4.23

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