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Home Aminos Benzamide, 2-amino-N-[3-(trifluoromethyl)phenyl]-

Benzamide, 2-amino-N-[3-(trifluoromethyl)phenyl]-

CAS No.:
20878-52-8
Catalog Number:
AG002JWM
Molecular Formula:
C14H11F3N2O
Molecular Weight:
280.2451
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Product Description
Catalog Number:
AG002JWM
Chemical Name:
Benzamide, 2-amino-N-[3-(trifluoromethyl)phenyl]-
CAS Number:
20878-52-8
Molecular Formula:
C14H11F3N2O
Molecular Weight:
280.2451
MDL Number:
MFCD00423371
IUPAC Name:
2-amino-N-[3-(trifluoromethyl)phenyl]benzamide
InChI:
InChI=1S/C14H11F3N2O/c15-14(16,17)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)18/h1-8H,18H2,(H,19,20)
InChI Key:
OAEMTEMEJOQHES-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1N)Nc1cccc(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:
3.5  
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