Chemical ID: 6398432

Cc1ccc(c(c1)Br)NC(=O)c2ccccc2
Chemical ID:
6398432
Name [?]:
N-(2-bromo-4-methyl-phenyl)benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C14H12BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,4,7,2,12,6,5,10,8,9,11/E:(3,4)(5,6)/rA:17nCCCCCCCBrNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12BrNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.20224
Area:424.923
Solvation:-1.42082
Coulombic:-24.1507
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.155
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.23
LogP (Chemaxon):3.71

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Descriptor Annotations

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