3-chloro-N-(3,5-dimethoxyphenyl)propanamide

• ChemBase ID: 312610
• Molecular Formular: C11H14ClNO3
• Molecular Mass: 243.68676
• Monoisotopic Mass: 243.06622099
• SMILES: c1(NC(=O)CCCl)cc(cc(c1)OC)OC
• Canonical SMILES: ClCCC(=O)Nc1cc(OC)cc(c1)OC
• InChI: InChI=1S/C11H14ClNO3/c1-15-9-5-8(6-10(7-9)16-2)13-11(14)3-4-12/h5-7H,3-4H2,1-2H3,(H,13,14)
• InChIKey: FWJIKACTNJJWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(3,5-dimethoxyphenyl)propanamide
• IUPAC Traditional name: 3-chloro-N-(3,5-dimethoxyphenyl)propanamide
• Synonyms: 3-chloro-N-(3,5-dimethoxyphenyl)propanamide

Database IDs

• CAS Number: 915923-51-2
• MDL Number: MFCD08691976

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6699702
• LogD (pH = 7.4): 1.6699698
• Log P: 1.6699702
• Molar Refractivity: 63.3 cm^3
• Polarizability: 23.958807 Å^3
• Polar Surface Area: 47.56 Å^2