2-chloro-N,N-diethyl-2-phenylacetamide

• ChemBase ID: 249578
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: C(=O)(C(c1ccccc1)Cl)N(CC)CC
• Canonical SMILES: CCN(C(=O)C(c1ccccc1)Cl)CC
• InChI: InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11(13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
• InChIKey: XGCSCGPEXJYFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-diethyl-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N,N-diethyl-2-phenylacetamide
• Synonyms: 2-chloro-N,N-diethyl-2-phenylacetamide

Database IDs

• CAS Number: 65117-31-9
• MDL Number: MFCD00544109
• PubChem SID: 164305488
• PubChem CID: 4962500

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6044528
• LogD (pH = 7.4): 2.6044528
• Log P: 2.6044528
• Molar Refractivity: 62.8676 cm^3
• Polarizability: 24.40061 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 58°C
• Hydrophobicity(logP): 2.837

Product Information

• Purity: 95%