N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine

2-(N-benzoyl-3-chloro-4-fluoroanilino)-3-phenylpropanoic acid

CAS: 72274-16-9

Molecular Formula	`C22H17ClFNO3`
Molecular Weight	397.8 g/mol
LogP	4.5
Topological Polar Surface Area	57.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	397.0881
Heavy Atoms	28
Complexity	534.0

Chemical Identifiers

CAS Number	72274-16-9
SMILES	`C1=CC=C(C=C1)CC(C(=O)O)N(C2=CC(=C(C=C2)F)Cl)C(=O)C3=CC=CC=C3`
InChIKey	`YLRWGFQGMBOYOY-UHFFFAOYSA-N`

📖 Product Overview

N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine (CAS: 72274-16-9) is a chemical compound with molecular formula C22H17ClFNO3 and molecular weight 397.8 g/mol. Its IUPAC systematic name is 2-(N-benzoyl-3-chloro-4-fluoroanilino)-3-phenylpropanoic acid. LogP 4.5 Topological Polar Surface Area 57.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 397.0881 Heavy Atoms 28 Complexity 534.0 InChI Key: YLRWGFQGMBOYOY-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CC(C(=O)O)N(C2=CC(=C(C=C2)F)Cl)C(=O)C3=CC=CC=C3.

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