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

• ChemBase ID: 252742
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: N(C(=O)CCCl)c1c(Oc2ccccc2)cccc1
• Canonical SMILES: ClCCC(=O)Nc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C15H14ClNO2/c16-11-10-15(18)17-13-8-4-5-9-14(13)19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
• InChIKey: FZBTZXGKHKCEPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(2-phenoxyphenyl)propanamide
• IUPAC Traditional name: 3-chloro-N-(2-phenoxyphenyl)propanamide
• Synonyms: 3-chloro-N-(2-phenoxyphenyl)propanamide

Database IDs

• MDL Number: MFCD02131371
• PubChem SID: 164308652
• PubChem CID: 4426448

CALCULATED PROPERTIES

• Acid pKa: 12.332388
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4855998
• LogD (pH = 7.4): 3.485595
• Log P: 3.4856
• Molar Refractivity: 76.6144 cm^3
• Polarizability: 29.193007 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.261

Product Information

• Purity: 95%