2-chloro-2-phenyl-N-(propan-2-yl)acetamide

• ChemBase ID: 257438
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C(=O)(NC(C)C)C(c1ccccc1)Cl
• Canonical SMILES: ClC(c1ccccc1)C(=O)NC(C)C
• InChI: InChI=1S/C11H14ClNO/c1-8(2)13-11(14)10(12)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)
• InChIKey: URUGPBYXLQPSDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-phenyl-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-isopropyl-2-phenylacetamide
• Synonyms: 2-chloro-N-isopropyl-2-phenylacetamide

Database IDs

• MDL Number: MFCD11505433
• PubChem SID: 164313348
• PubChem CID: 15254044

CALCULATED PROPERTIES

• Acid pKa: 13.169777
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.440544
• LogD (pH = 7.4): 2.4405432
• Log P: 2.440544
• Molar Refractivity: 57.6411 cm^3
• Polarizability: 22.56106 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.341

Product Information

• Purity: 95%