N-(3-Acetylphenyl)formamide - CAS 72801-78-6

Name: N-(3-Acetylphenyl)formamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061221
Product Name:	N-(3-Acetylphenyl)formamide
CAS:	72801-78-6
Synonyms:	1-(3-Formylaminophenyl)ethanone

Technical Data

IUPAC Name:	N-(3-acetylphenyl)formamide
Description:	N-(3-Acetylphenyl)formamide is a reactant used in the preparation of impurities and degradation products of Zaleplon (Z145000), Quinolone antibacterials
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	CC(=O)C1=CC(=CC=C1)NC=O
InChI:	InChI=1S/C9H9NO2/c1-7(12)8-3-2-4-9(5-8)10-6-11/h2-6H,1H3,(H,10,11)
InChI Key:	WOUIHWHNWKWHPT-UHFFFAOYSA-N
Solubility:	Dichloromethane, Dimethylformamide, Ethyl Acetate, Methanol
Appearance:	Brown Crystals
References:	Radl, S. et al. J. Heterocyclic. Chem., 47, 276 (2010); Zhang, M. et al. J. Heterocyclic. Chem., 28, 673 (1991).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-2966079-A1	Pyridopyrimidine or pyrimidopyrimidine compound, preparation method, pharmaceutical composition and use thereof	20130304
US-2015368274-A1	Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof	20130304
US-9796732-B2	Pyridopyrimidine or pyrimidopyrimidine compound, prepration method, pharmaceutical composition, and use thereof	20130304
EP-2581373-A1	Benzo- or pyrido-imidazole derivative	20100511
US-2013165446-A1	Benzo-or pyrido-imidazole derivative	20100511
US-2008058351-A1	Novel heterobicyclic compounds	20060630
US-2006063784-A1	Method of using substituted pyrazolo [1,5-a] pyrimidines	20040917
WO-2006033795-A2	Substituted pyrazolo [1, 5-a] pyrimidines for inhibiting abnormal cell growth	20040917
EP-1692114-B1	Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament	20031128
US-2005009831-A1	Chemical compounds	20010919

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.06332853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1