2-(2-Iodophenyl)-N,N-dimethylacetamide - CAS 75117-26-9

Catalog:	BB060718
Product Name:	2-(2-Iodophenyl)-N,N-dimethylacetamide
CAS:	75117-26-9
Synonyms:	2-(2-Iodophenyl)-N,N-dimethylacetamide; Benzeneacetamide, 2-iodo-N,N-dimethyl-; N,N-dimethyl-2-iodophenylacetamide; N,N-Dimethyl-2-iodobenzeneacetamide

Technical Data

IUPAC Name:	2-(2-iodophenyl)-N,N-dimethylacetamide
Description:	2-(2-Iodophenyl)-N,N-dimethylacetamide is an intermediate in the synthesis of 3'-Hydroxy-4'-methoxydiclofenac (H946710), a derivative of Diclofenac (Sodium Salt: D436450). Diclofenac is the first non-steroidal anti-inflammatory drug (NSAID) that is derived from phenylacetic acid. Diclofenac, like other NSAIDs, primarily works by targeting the cyclo-oxygenase pathway in the arachidonic acid cascade, reducing the formation of inflammation mediators in the body.
Molecular Weight:	289.11
Molecular Formula:	C10H12INO
Canonical SMILES:	CN(C)C(=O)CC1=CC=CC=C1I
InChI:	InChI=1S/C10H12INO/c1-12(2)10(13)7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChI Key:	BPDRJYYNQKBYBG-UHFFFAOYSA-N
Solubility:	Dichloromethane; Chloroform; Ethyl Acetate
Appearance:	Light Yellow Solid
References:	Ku, E., et al. Am. J. Med., 80, 18 (1986); Simmons, D., et al. Proc. Nat. Acad. Sci., 96, 3275 (1999); Small, R. Clin. Pharm., 8, 545 (1989).

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.99636
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.99636
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3