Name: Name:2-amino-N-(2,2,2-trifluoroethyl)benzamide
Brand: Angene
SKU: AG019OM2
Rating: 90 (10 reviews)

2-amino-N-(2,2,2-trifluoroethyl)benzamide

CAS No.:

869629-11-8

Catalog Number:

AG019OM2

Molecular Formula:

C9H9F3N2O

Molecular Weight:

218.1758

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Product Description

Catalog Number:

AG019OM2

Chemical Name:

2-amino-N-(2,2,2-trifluoroethyl)benzamide

CAS Number:

869629-11-8

Molecular Formula:

C9H9F3N2O

Molecular Weight:

218.1758

MDL Number:

MFCD07343992

IUPAC Name:

2-amino-N-(2,2,2-trifluoroethyl)benzamide

InChI:

InChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h1-4H,5,13H2,(H,14,15)

InChI Key:

JSMHDOKRNGWLSV-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1N)NCC(F)(F)F

Properties

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.179g/mol

Monoisotopic Mass:

218.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101