2-chloro-N-methyl-N-(3-phenoxypropyl)acetamide

• ChemBase ID: 260565
• Molecular Formular: C12H16ClNO2
• Molecular Mass: 241.71394
• Monoisotopic Mass: 241.08695644
• SMILES: C(=O)(N(CCCOc1ccccc1)C)CCl
• Canonical SMILES: ClCC(=O)N(CCCOc1ccccc1)C
• InChI: InChI=1S/C12H16ClNO2/c1-14(12(15)10-13)8-5-9-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
• InChIKey: RFMDZNGVLQBCQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methyl-N-(3-phenoxypropyl)acetamide
• IUPAC Traditional name: 2-chloro-N-methyl-N-(3-phenoxypropyl)acetamide
• Synonyms: 2-chloro-N-methyl-N-(3-phenoxypropyl)acetamide

Database IDs

• MDL Number: MFCD12762662
• PubChem SID: 164316475
• PubChem CID: 50988967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.658417
• LogD (pH = 7.4): 1.658417
• Log P: 1.658417
• Molar Refractivity: 64.4301 cm^3
• Polarizability: 25.096264 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.467

Product Information

• Purity: 95%