2-phenyl-2-(pyridin-2-yl)acetamide

• ChemBase ID: 176640
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: c1ccnc(c1)C(C(=O)N)c1ccccc1
• Canonical SMILES: NC(=O)C(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
• InChIKey: PYAPITOPBTXXNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: α-(2-pyridyl)phenylacetamide
• Synonyms: 2-Phenyl-2-(2-pyridyl)acetamide; NSC 62572; SC 16571; α-(2-Pyridyl)benzeneacetamide; α-Phenyl-2-pyridineacetamide; 2-Phenyl-2-(pyridin-2-yl)acetamide

Database IDs

• CAS Number: 7251-52-7
• MDL Number: MFCD00138126
• PubChem SID: 164232550
• PubChem CID: 97964

CALCULATED PROPERTIES

• Acid pKa: 15.78734
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6397228
• LogD (pH = 7.4): 1.6489012
• Log P: 1.6490196
• Molar Refractivity: 61.3284 cm^3
• Polarizability: 23.913197 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White to Off-White Solid
• Melting Point: 130-132°C

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95+%