N-[4-(2-Chloropropanoyl)phenyl]acetamide - CAS 81112-08-5

Name: N-[4-(2-Chloropropanoyl)phenyl]acetamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036605
Product Name:	N-[4-(2-Chloropropanoyl)phenyl]acetamide
CAS:	81112-08-5
Synonyms:	N-[4-(2-chloro-1-oxopropyl)phenyl]acetamide; N-[4-(2-chloropropanoyl)phenyl]acetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-[4-(2-chloropropanoyl)phenyl]acetamide
Description:	N-[4-(2-Chloropropanoyl)phenyl]acetamide (CAS# 81112-08-5) is a useful research chemical.
Molecular Weight:	225.67
Molecular Formula:	C11H12ClNO2
Canonical SMILES:	CC(C(=O)C1=CC=C(C=C1)NC(=O)C)Cl
InChI:	InChI=1S/C11H12ClNO2/c1-7(12)11(15)9-3-5-10(6-4-9)13-8(2)14/h3-7H,1-2H3,(H,13,14)
InChI Key:	FWBXOIYYUSIMST-UHFFFAOYSA-N
Boiling Point:	429.9 °C at 760 mmHg
Density:	1.237 g/cm³
MDL:	MFCD06364488
LogP:	2.52800

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Publication Number	Title	Priority Date
WO-2018086703-A1	Dihydropyridazinones substituted with phenylureas	20161111
WO-2014043715-A1	Compounds that modulate intracellular calcium	20120917
DE-19952146-A1	Arylalkanes, arylalkenes and aryl-azaalkanes, medicaments containing these compounds and process for their preparation	19991029
EP-1228060-A1	Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof	19991029
US-2007208036-A1	Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them	19991029

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.0556563
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.0556563
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3