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

• ChemBase ID: 30390
• Molecular Formular: C14H12ClNO2
• Molecular Mass: 261.70358
• Monoisotopic Mass: 261.05565631
• SMILES: N(c1c(Oc2ccccc2)cccc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C14H12ClNO2/c15-10-14(17)16-12-8-4-5-9-13(12)18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
• InChIKey: HPKJQYQYTRARFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-phenoxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-phenoxyphenyl)acetamide
• Synonyms: 2-Chloro-N-(2-phenoxy-phenyl)-acetamide; 2-chloro-N-(2-phenoxyphenyl)acetamide

Database IDs

• CAS Number: 22504-02-5
• MDL Number: MFCD00506451
• PubChem SID: 160993697
• PubChem CID: 918777

CALCULATED PROPERTIES

• Acid pKa: 11.886881
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.248587
• LogD (pH = 7.4): 3.2485738
• Log P: 3.2485871
• Molar Refractivity: 71.915 cm^3
• Polarizability: 27.356268 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.282

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%