2-amino-N-(2-bromophenyl)acetamide

• ChemBase ID: 308338
• Molecular Formular: C8H9BrN2O
• Molecular Mass: 229.07386
• Monoisotopic Mass: 227.98982492
• SMILES: N(c1c(Br)cccc1)C(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccccc1Br
• InChI: InChI=1S/C8H9BrN2O/c9-6-3-1-2-4-7(6)11-8(12)5-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: HEBSALZPGHIZMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-bromophenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(2-bromophenyl)acetamide
• Synonyms: N~1~-(2-bromophenyl)glycinamide

Database IDs

• CAS Number: 900641-74-9
• MDL Number: MFCD04639760

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3174564
• LogD (pH = 7.4): 0.37690356
• Log P: 1.055579
• Molar Refractivity: 51.9035 cm^3
• Polarizability: 19.567211 Å^3
• Polar Surface Area: 55.12 Å^2