Name: Name:N-{1-cyano-1-[(4-fluorophenyl)methyl]ethyl}acetamide
Brand: Angene
SKU: AG01BV75
Rating: 90 (10 reviews)

N-{1-cyano-1-[(4-fluorophenyl)methyl]ethyl}acetamide

CAS No.:

2059937-04-9

Catalog Number:

AG01BV75

Molecular Formula:

C12H13FN2O

Molecular Weight:

220.2428

Catalog Number:

AG01BV75

Chemical Name:

N-{1-cyano-1-[(4-fluorophenyl)methyl]ethyl}acetamide

CAS Number:

2059937-04-9

Molecular Formula:

C12H13FN2O

Molecular Weight:

220.2428

MDL Number:

MFCD30535625

IUPAC Name:

N-[2-cyano-1-(4-fluorophenyl)propan-2-yl]acetamide

InChI:

InChI=1S/C12H13FN2O/c1-9(16)15-12(2,8-14)7-10-3-5-11(13)6-4-10/h3-6H,7H2,1-2H3,(H,15,16)

InChI Key:

USCQWAKNYIJAJP-UHFFFAOYSA-N

SMILES:

N#CC(Cc1ccc(cc1)F)(NC(=O)C)C

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.247g/mol

Monoisotopic Mass:

220.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6