2-(3-aminophenyl)acetamide

• ChemBase ID: 123681
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(Cc1cc(N)ccc1)N
• Canonical SMILES: NC(=O)Cc1cccc(c1)N
• InChI: InChI=1S/C8H10N2O/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
• InChIKey: LBWKDTFSPUMSAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminophenyl)acetamide
• IUPAC Traditional name: 2-(3-aminophenyl)acetamide
• Synonyms: 2-(3-aminophenyl)acetamide

Database IDs

• CAS Number: 129743-47-1
• MDL Number: MFCD11695108
• PubChem SID: 162218034
• PubChem CID: 108823

CALCULATED PROPERTIES

• Acid pKa: 16.561443
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.050449643
• LogD (pH = 7.4): -0.02520609
• Log P: -0.024874462
• Molar Refractivity: 43.8882 cm^3
• Polarizability: 16.355564 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true