2-chloro-N-(4-phenoxyphenyl)propanamide

• ChemBase ID: 72345
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: C(=O)(Nc1ccc(Oc2ccccc2)cc1)C(Cl)C
• Canonical SMILES: CC(C(=O)Nc1ccc(cc1)Oc1ccccc1)Cl
• InChI: InChI=1S/C15H14ClNO2/c1-11(16)15(18)17-12-7-9-14(10-8-12)19-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
• InChIKey: BSYZSMKURUVCRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-phenoxyphenyl)propanamide
• IUPAC Traditional name: 2-chloro-N-(4-phenoxyphenyl)propanamide
• Synonyms: 2-Chloro-N-(4-phenoxyphenyl)propanamide

Database IDs

• PubChem SID: 162104303
• PubChem CID: 4150983

CALCULATED PROPERTIES

• Acid pKa: 13.69375
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8173513
• LogD (pH = 7.4): 3.817351
• Log P: 3.8173513
• Molar Refractivity: 76.4089 cm^3
• Polarizability: 29.194593 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT