Home Other Building Blocks 2-CYANO-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

2-CYANO-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

CAS No.:
419534-37-5
Catalog Number:
AG00CK1M
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
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Product Description
Catalog Number:
AG00CK1M
Chemical Name:
2-CYANO-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
CAS Number:
419534-37-5
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
MDL Number:
MFCD03946384
IUPAC Name:
2-cyano-N-[2-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-4-8(7)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChI Key:
QRMBMSKLEQIKLX-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccccc1C(F)(F)F
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.174g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties