2-chloro-N-(2-phenoxyphenyl)propanamide

• ChemBase ID: 253844
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: C(=O)(Nc1c(Oc2ccccc2)cccc1)C(Cl)C
• Canonical SMILES: O=C(C(Cl)C)Nc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C15H14ClNO2/c1-11(16)15(18)17-13-9-5-6-10-14(13)19-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)
• InChIKey: PVXFNEBKNXQDCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-phenoxyphenyl)propanamide
• IUPAC Traditional name: 2-chloro-N-(2-phenoxyphenyl)propanamide
• Synonyms: 2-chloro-N-(2-phenoxyphenyl)propanamide

Database IDs

• MDL Number: MFCD12550149
• PubChem SID: 164309754
• PubChem CID: 43184742

CALCULATED PROPERTIES

• Acid pKa: 11.799322
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.817351
• LogD (pH = 7.4): 3.817335
• Log P: 3.8173513
• Molar Refractivity: 76.4089 cm^3
• Polarizability: 29.196512 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 3.811

Product Information

• Purity: 95%