3-chloro-N-[(2-methoxyphenyl)methyl]propanamide

• ChemBase ID: 310770
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: C(=O)(NCc1c(OC)cccc1)CCCl
• Canonical SMILES: ClCCC(=O)NCc1ccccc1OC
• InChI: InChI=1S/C11H14ClNO2/c1-15-10-5-3-2-4-9(10)8-13-11(14)6-7-12/h2-5H,6-8H2,1H3,(H,13,14)
• InChIKey: FVBYAFBTSQKJJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-[(2-methoxyphenyl)methyl]propanamide
• IUPAC Traditional name: 3-chloro-N-[(2-methoxyphenyl)methyl]propanamide
• Synonyms: 3-chloro-N-(2-methoxybenzyl)propanamide

Database IDs

• CAS Number: 105909-52-2
• MDL Number: MFCD02973798

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5345461
• LogD (pH = 7.4): 1.534546
• Log P: 1.5345461
• Molar Refractivity: 59.891 cm^3
• Polarizability: 23.254362 Å^3
• Polar Surface Area: 38.33 Å^2