Chemical ID: 6505049

Cc1ccc(cc1Br)NC(=O)c2ccc(o2)C
Chemical ID:
6505049
Name [?]:
N-(3-bromo-4-methyl-phenyl)-5-methyl-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Br)NC(=O)c2ccc(o2)C
InChi [?]:
InChI=1/C13H12BrNO2/c1-8-3-5-10(7-11(8)14)15-13(16)12-6-4-9(2)17-12/h3-7H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,3,14,4,13,6,2,15,5,7,12,10,8,9,11,16/rA:17nCCCCCCCBrNCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12BrNO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.9201
Area:431.692
Solvation:-1.87219
Coulombic:-30.5181
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.144
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):3.32

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