2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

• ChemBase ID: 251459
• Molecular Formular: C11H13ClFNO
• Molecular Mass: 229.6784232
• Monoisotopic Mass: 229.06696994
• SMILES: C(=O)(N(Cc1cc(F)ccc1)CC)CCl
• Canonical SMILES: CCN(C(=O)CCl)Cc1cccc(c1)F
• InChI: InChI=1S/C11H13ClFNO/c1-2-14(11(15)7-12)8-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3
• InChIKey: RWKMWGAZGHLOAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
• IUPAC Traditional name: 2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
• Synonyms: 2-chloro-N-ethyl-N-(3-fluorobenzyl)acetamide

Database IDs

• MDL Number: MFCD08271736
• PubChem SID: 164307369
• PubChem CID: 9317159

CALCULATED PROPERTIES

• Log P: 2.1783905
• Molar Refractivity: 58.5901 cm^3
• Polarizability: 22.273338 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1783905
• LogD (pH = 7.4): 2.1783905

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.251

Product Information

• Purity: 95%