Chemical ID: 7276416

Cc1ccc(c(c1)Br)NC(=O)c2ccc3ccccc3n2
Chemical ID:
7276416
Name [?]:
N-(2-bromo-4-methyl-phenyl)quinoline-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccc3ccccc3n2
InChi [?]:
InChI=1/C17H13BrN2O/c1-11-6-8-15(13(18)10-11)20-17(21)16-9-7-12-4-2-3-5-14(12)19-16/h2-10H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,3,14,4,13,7,2,15,6,20,5,12,10,8,21,9,11/rA:21nCCCCCCCBrNCOCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2O
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5509
Area:482.344
Solvation:-1.50772
Coulombic:-30.6901
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.202
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.42
LogP (Chemaxon):4.2

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