4-Chloro-N-(2-hydroxypropyl)benzeneacetamide - CAS 1030624-36-2

Catalog:	BB055557
Product Name:	4-Chloro-N-(2-hydroxypropyl)benzeneacetamide
CAS:	1030624-36-2
Synonyms:	2-(4-Chlorophenyl)-N-(2-hydroxypropyl)acetamide

Technical Data

IUPAC Name:	2-(4-chlorophenyl)-N-(2-hydroxypropyl)acetamide
Description:	4-Chloro-N-(2-hydroxypropyl)benzeneacetamide is used as a reagent in the synthesis of Lorcaserin Hydrochloride (L469890); a novel selective 5-HT2C-receptor agonist for the treatment of obesity.
Molecular Weight:	227.69
Molecular Formula:	C11H14ClNO2
Canonical SMILES:	CC(CNC(=O)CC1=CC=C(C=C1)Cl)O
InChI:	InChI=1S/C11H14ClNO2/c1-8(14)7-13-11(15)6-9-2-4-10(12)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChI Key:	CASIMBRPWDCQJE-UHFFFAOYSA-N
Melting Point:	102-105°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White Solid
Storage:	Refrigerator
References:	Pauli, M., et al. Formulary, 45, 180 (2010); Ioannides-Demos, L.L., et al. J. Obesity, 18, 179674 (2011); Wang, X., et al. Faming Zhuanli Shenqing. CN 103333111 A 20131002. Oct 2, 2013.

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.0713064
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	227.0713064
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5