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

• ChemBase ID: 58059
• Molecular Formular: C14H12ClNO2
• Molecular Mass: 261.70358
• Monoisotopic Mass: 261.05565631
• SMILES: C(=O)(Nc1ccc(Oc2ccccc2)cc1)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H12ClNO2/c15-10-14(17)16-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)
• InChIKey: PHUZNDQAFGNCRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 36160-84-6
• MDL Number: MFCD00028181
• PubChem SID: 162062822
• PubChem CID: 736969

CALCULATED PROPERTIES

• Acid pKa: 13.8335085
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2485871
• LogD (pH = 7.4): 3.2485871
• Log P: 3.2485871
• Molar Refractivity: 71.915 cm^3
• Polarizability: 27.35436 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.872

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%