3-chloro-N-(4-acetamidophenyl)propanamide

• ChemBase ID: 311940
• Molecular Formular: C11H13ClN2O2
• Molecular Mass: 240.68612
• Monoisotopic Mass: 240.06655535
• SMILES: C(=O)(Nc1ccc(NC(=O)C)cc1)CCCl
• Canonical SMILES: ClCCC(=O)Nc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C11H13ClN2O2/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
• InChIKey: NIEJZCWBKFKLRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(4-acetamidophenyl)propanamide
• IUPAC Traditional name: 3-chloro-N-(4-acetamidophenyl)propanamide
• Synonyms: N-[4-(acetylamino)phenyl]-3-chloropropanamide

Database IDs

• CAS Number: 893725-93-4
• MDL Number: MFCD07364270

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.223023
• LogD (pH = 7.4): 1.223023
• Log P: 1.223023
• Molar Refractivity: 65.2366 cm^3
• Polarizability: 23.791067 Å^3
• Polar Surface Area: 58.2 Å^2