CAS 20878-52-8 | Benzamide, 2-amino-N-[3-(trifluoromethyl)phenyl]- | CAS Number 20878-52-8

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20878-52-8 | Benzamide, 2-amino-N-[3-(trifluoromethyl)phenyl]-

CAS No: 20878-52-8 Catalog No: AG002JWM MDL No:MFCD00423371

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.25g/mol

Monoisotopic Mass:

280.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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