2-chloro-N,N-dimethyl-2-phenylacetamide

• ChemBase ID: 249774
• Molecular Formular: C10H12ClNO
• Molecular Mass: 197.66138
• Monoisotopic Mass: 197.06074169
• SMILES: C(=O)(C(c1ccccc1)Cl)N(C)C
• Canonical SMILES: ClC(C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C10H12ClNO/c1-12(2)10(13)9(11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
• InChIKey: SQBWHYPWUXGGKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 65117-30-8
• MDL Number: MFCD07323191
• PubChem SID: 164305684
• PubChem CID: 4962671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8908371
• LogD (pH = 7.4): 1.8908371
• Log P: 1.8908371
• Molar Refractivity: 53.3704 cm^3
• Polarizability: 20.722668 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56 - 57°C
• Hydrophobicity(logP): 1.779

Product Information

• Purity: 95%