2-Chloro-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide - CAS 76895-80-2

Catalog:	BB070076
Product Name:	2-Chloro-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide
CAS:	76895-80-2
Synonyms:	2-Chloro-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide; 2-(2-chloroacetamido)-5-nitro-2'-fluorobenzophenone

Technical Data

IUPAC Name:	2-chloro-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide
Description:	2-Chloro-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide is an intermediate in the synthesis of Flunitrazepam (F500700) related compounds.
Molecular Weight:	336.7
Molecular Formula:	C15H10ClFN2O4
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CCl)F
InChI:	InChI=1S/C15H10ClFN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)
InChI Key:	LYLZQAVKMNBHEG-UHFFFAOYSA-N
Solubility:	Acetone, Chloroform, Methanol
Appearance:	Pale Yellow Solid
References:	Clarke, G. M., et al. J. Chem. Res., 12, 400 (1980).

Complexity:	471
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	336.0313127
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	336.0313127
Rotatable Bond Count:	4
Topological Polar Surface Area:	92Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5