Chemical ID: 5642620

Cc1ccc(c(c1)Br)NC(=O)c2cccc(c2)Br
Chemical ID:
5642620
Name [?]:
3-bromo-N-(2-bromo-4-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C14H11Br2NO/c1-9-5-6-13(12(16)7-9)17-14(18)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,4,7,17,2,12,16,6,5,10,18,8,9,11/rA:18nCCCCCCCBrNCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11Br2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.96564
Area:455.834
Solvation:-1.43021
Coulombic:-23.7297
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:369.051
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.03
LogP (Chemaxon):4.5

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