2-amino-N-phenylacetamide

• ChemBase ID: 118767
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(Nc1ccccc1)CN
• Canonical SMILES: NCC(=O)Nc1ccccc1
• InChI: InChI=1S/C8H10N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
• InChIKey: QRKJNCRCYBKANP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-phenylacetamide
• IUPAC Traditional name: 2-amino-N-phenylacetamide
• Synonyms: N1-phenylglycinamide hydrochloride

Database IDs

• MDL Number: MFCD00035439
• PubChem SID: 162098523
• PubChem CID: 208384

CALCULATED PROPERTIES

• Acid pKa: 13.518827
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0862317
• LogD (pH = 7.4): -0.39182588
• Log P: 0.28682634
• Molar Refractivity: 44.2807 cm^3
• Polarizability: 16.732409 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.155

Product Information

• Purity: 95+%
• Salt Data: HCl