2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 251387
• Molecular Formular: C13H16ClNO2
• Molecular Mass: 253.72464
• Monoisotopic Mass: 253.08695644
• SMILES: N(C1CC1)(C(=O)CCl)Cc1ccc(cc1)OC
• Canonical SMILES: ClCC(=O)N(C1CC1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C13H16ClNO2/c1-17-12-6-2-10(3-7-12)9-15(11-4-5-11)13(16)8-14/h2-3,6-7,11H,4-5,8-9H2,1H3
• InChIKey: MTGYGBNCPKSKCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
• Synonyms: 2-chloro-N-cyclopropyl-N-(4-methoxybenzyl)acetamide

Database IDs

• MDL Number: MFCD07690495
• PubChem SID: 164307297
• PubChem CID: 7131776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.986774
• LogD (pH = 7.4): 1.986774
• Log P: 1.986774
• Molar Refractivity: 67.2995 cm^3
• Polarizability: 26.207111 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.852

Product Information

• Purity: 95%