2-amino-2-(3-bromophenyl)acetamide

• ChemBase ID: 265759
• Molecular Formular: C8H9BrN2O
• Molecular Mass: 229.07386
• Monoisotopic Mass: 227.98982492
• SMILES: C(=O)(C(c1cc(Br)ccc1)N)N
• Canonical SMILES: NC(=O)C(c1cccc(c1)Br)N
• InChI: InChI=1S/C8H9BrN2O/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H2,11,12)
• InChIKey: KNVHYQXHBGNHLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12151944
• PubChem SID: 164321669
• PubChem CID: 47002509

CALCULATED PROPERTIES

• Acid pKa: 14.753075
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3586282
• LogD (pH = 7.4): 0.300568
• Log P: 0.75076383
• Molar Refractivity: 49.8063 cm^3
• Polarizability: 19.569101 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 0.469

Product Information

• Purity: 95%