N-(p-Methylphenacyl)-phthalimide - CAS 1909-25-7

Catalog:	BB060128
Product Name:	N-(p-Methylphenacyl)-phthalimide
CAS:	1909-25-7
Synonyms:	2-[2-(4-Methylphenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione

Technical Data

IUPAC Name:	2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
Description:	Intermediate in the preparation of aryloxoalkyl phthalimides with antiproliferative activity.
Molecular Weight:	279.29
Molecular Formula:	C17H13NO3
Canonical SMILES:	CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI:	InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)15(19)10-18-16(20)13-4-2-3-5-14(13)17(18)21/h2-9H,10H2,1H3
InChI Key:	MWKJMOAIQHMKGZ-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, Dimethyl Formamide, Hot Ethanol
Appearance:	White Solid
Storage:	Room Temperature
References:	Chan, S.H. et al. Eur. J. Med. Chem., 44, 2736 (2009).

Complexity:	427
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.08954328
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7