2-phenyl-2-[(2H4)pyridin-2-yl]acetamide

• ChemBase ID: 176641
• 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-[(^2H₄)pyridin-2-yl]acetamide
• IUPAC Traditional name: 2-phenyl-2-[(^2H₄)pyridin-2-yl]acetamide
• Synonyms: 2-Phenyl-2-(2-pyridyl)acetamide-d4; NSC 62572-d4; SC 16571-d4; α-(2-Pyridyl)benzeneacetamide-d4; α-Phenyl-2-pyridineacetamide-d4

Database IDs

• PubChem SID: 164232551
• PubChem CID: 46782745

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: 23.936123 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethyl Acetate; Methanol