2-Chloro-N-(2,4-dimethoxyphenyl)acetamide - CAS 101908-41-2

Catalog:	BB000692
Product Name:	2-Chloro-N-(2,4-dimethoxyphenyl)acetamide
CAS:	101908-41-2
Synonyms:	2-chloro-N-(2,4-dimethoxyphenyl)acetamide; 2-chloro-N-(2,4-dimethoxyphenyl)acetamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-N-(2,4-dimethoxyphenyl)acetamide
Description:	2-Chloro-N-(2,4-dimethoxyphenyl)acetamide (CAS# 101908-41-2) is a useful research chemical.
Molecular Weight:	229.66
Molecular Formula:	C10H12ClNO3
Canonical SMILES:	COC1=CC(=C(C=C1)NC(=O)CCl)OC
InChI:	InChI=1S/C10H12ClNO3/c1-14-7-3-4-8(9(5-7)15-2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChI Key:	SPDLCISEBHCEFN-UHFFFAOYSA-N
Boiling Point:	382.1 °C at 760 mmHg
Density:	1.262 g/cm³
MDL:	MFCD00750873
LogP:	1.95410

Publication Number	Title	Priority Date
EP-2850068-A1	Gpr17 receptor modulators.	20120509
EP-2850068-B1	N-(phenyl)-2-[[3-(phenyl)-1H-1,2,4-triazol-5-yl]thio]-acetamide derivatives and related compounds as G protein coupled receptor 17 (GPCR17) modulators for use in the treatment of neuro-degenerative diseases	20120509
JP-2015515996-A	GPR17 receptor modulator	20120509
JP-6082457-B2	GPR17 receptor modulator	20120509
KR-20150008468-A	GPR17 receptor modulators	20120509

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.0505709
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.0505709
Rotatable Bond Count:	4
Topological Polar Surface Area:	47.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9