2-(4-Bromophenyl)propanamide - CAS 917397-89-8

Catalog:	BB040331
Product Name:	2-(4-Bromophenyl)propanamide
CAS:	917397-89-8
Synonyms:	2-(4-bromophenyl)propanamide; 2-(4-bromophenyl)propanamide

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)propanamide
Description:	2-(4-Bromophenyl)propanamide (CAS# 917397-89-8 ) is a useful research chemical.
Molecular Weight:	228.09
Molecular Formula:	C9H10BrNO
Canonical SMILES:	CC(C1=CC=C(C=C1)Br)C(=O)N
InChI:	InChI=1S/C9H10BrNO/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,12)
InChI Key:	ZWRSIOSZQWOKPB-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-2155717-A1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-ht7 receptor antagonists	20070511
EP-2155717-B1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-ht7 receptor antagonists	20070511
US-2010120785-A1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-ht7 receptor antagonists	20070511
US-8202873-B2	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists	20070511
WO-2008141020-A1	2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-ht7 receptor antagonists	20070511

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Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.99458
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.99458
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2