3-chloro-N-(3-hydroxyphenyl)propanamide

• ChemBase ID: 311381
• Molecular Formular: C9H10ClNO2
• Molecular Mass: 199.6342
• Monoisotopic Mass: 199.04000625
• SMILES: C(=O)(Nc1cc(O)ccc1)CCCl
• Canonical SMILES: ClCCC(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C9H10ClNO2/c10-5-4-9(13)11-7-2-1-3-8(12)6-7/h1-3,6,12H,4-5H2,(H,11,13)
• InChIKey: PNLKLWHMPQKCEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(3-hydroxyphenyl)propanamide
• IUPAC Traditional name: 3-chloro-N-(3-hydroxyphenyl)propanamide
• Synonyms: 3-chloro-N-(3-hydroxyphenyl)propanamide

Database IDs

• CAS Number: 50297-40-0
• MDL Number: MFCD02812236

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6816683
• LogD (pH = 7.4): 1.6755106
• Log P: 1.6817474
• Molar Refractivity: 52.3545 cm^3
• Polarizability: 19.513474 Å^3
• Polar Surface Area: 49.33 Å^2