N-(1-Chloro-2-oxo-2-phenylethyl)benzamide - CAS 41260-69-9

Catalog:	BB069934
Product Name:	N-(1-Chloro-2-oxo-2-phenylethyl)benzamide
CAS:	41260-69-9
Synonyms:	N-(1-chloro-2-oxo-2-phenylethyl)benzamide; benzoylamino(chloro)acetophenone

Technical Data

IUPAC Name:	N-(1-chloro-2-oxo-2-phenylethyl)benzamide
Description:	N-(1-Chloro-2-oxo-2-phenylethyl)benzamide is an amidophenacylating reagent used in various organic reactions, e.g. in the synthesis of thiohydantoin derivatives.
Molecular Weight:	273.71
Molecular Formula:	C15H12ClNO2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C(NC(=O)C2=CC=CC=C2)Cl
InChI:	InChI=1S/C15H12ClNO2/c16-14(13(18)11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,14H,(H,17,19)
InChI Key:	ZMANAHPLPILSDM-UHFFFAOYSA-N
References:	Balya, A.G., et al. Russ. J. Gen. Chem., 78, 1427 (2008); Belyuga, A.G., et al. Zhurnal Organichnoi ta Farmatsevtichnoi Khimii, 2, 25 (2004).

Complexity:	320
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.0556563
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	273.0556563
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3