2-amino-N-phenylbenzamide

• ChemBase ID: 57667
• Molecular Formular: C13H12N2O
• Molecular Mass: 212.24718
• Monoisotopic Mass: 212.09496301
• SMILES: c1cc(c(cc1)C(=O)Nc1ccccc1)N
• Canonical SMILES: O=C(c1ccccc1N)Nc1ccccc1
• InChI: InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
• InChIKey: FDPVTENMNDHFNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-phenylbenzamide
• IUPAC Traditional name: benzamide, 2-amino-N-phenyl-
• Synonyms: 2-Amino-N-phenylbenzamide; Phenylanthranilamide; 2-Aminobenzanilide; 2-Aminobenzanilide; 2-(Phenylcarbamoyl)aniline; 2-Amino-N-phenylbenzamide; 2'-氨基苯甲酰苯胺

Database IDs

• CAS Number: 4424-17-3
• EC Number: 224-599-5
• MDL Number: MFCD00017096; MFCD00034792
• Beilstein Number: 782786
• PubChem SID: 162062430
• PubChem CID: 78142

CALCULATED PROPERTIES

• Acid pKa: 14.527945
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8858874
• LogD (pH = 7.4): 2.8862007
• Log P: 2.8862047
• Molar Refractivity: 66.2919 cm^3
• Polarizability: 24.084742 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130-134°C; 130-134°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: CV2325000
• TSCA Listed: false; 否

Product Information

• Purity: 95%