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Home Aminos N-(3-aminophenyl)-3-(trifluoromethyl)benzamide

N-(3-aminophenyl)-3-(trifluoromethyl)benzamide

CAS No.:
926663-69-6
Catalog Number:
AG01AARZ
Molecular Formula:
C14H11F3N2O
Molecular Weight:
280.2451
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Product Description
Catalog Number:
AG01AARZ
Chemical Name:
N-(3-aminophenyl)-3-(trifluoromethyl)benzamide
CAS Number:
926663-69-6
Molecular Formula:
C14H11F3N2O
Molecular Weight:
280.2451
MDL Number:
MFCD09804112
IUPAC Name:
N-(3-aminophenyl)-3-(trifluoromethyl)benzamide
InChI:
InChI=1S/C14H11F3N2O/c15-14(16,17)10-4-1-3-9(7-10)13(20)19-12-6-2-5-11(18)8-12/h1-8H,18H2,(H,19,20)
InChI Key:
OXTAWUMXNUGWMT-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)NC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.082g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.25g/mol
Monoisotopic Mass:
280.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Cyclooxygenase-1-selective inhibitors are attractive candidates for analgesics that do not cause gastric damage. design and in vitro/in vivo evaluation of a benzamide-type cyclooxygenase-1 selective inhibitor. Journal of medicinal chemistry 20080424
Properties