2-amino-N-(3,4-dichlorophenyl)benzamide

• ChemBase ID: 275229
• Molecular Formular: C13H10Cl2N2O
• Molecular Mass: 281.1373
• Monoisotopic Mass: 280.01701831
• SMILES: C(=O)(c1c(N)cccc1)Nc1cc(c(cc1)Cl)Cl
• Canonical SMILES: O=C(c1ccccc1N)Nc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C13H10Cl2N2O/c14-10-6-5-8(7-11(10)15)17-13(18)9-3-1-2-4-12(9)16/h1-7H,16H2,(H,17,18)
• InChIKey: SYZISNCKPUTVQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3,4-dichlorophenyl)benzamide
• IUPAC Traditional name: 2-amino-N-(3,4-dichlorophenyl)benzamide
• Synonyms: 2-amino-N-(3,4-dichlorophenyl)benzamide

Database IDs

• MDL Number: MFCD02268433
• PubChem SID: 164331139
• PubChem CID: 478821

CALCULATED PROPERTIES

• Acid pKa: 11.288813
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.0941615
• LogD (pH = 7.4): 4.094239
• Log P: 4.094294
• Molar Refractivity: 75.9015 cm^3
• Polarizability: 27.863651 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 3.997

Product Information

• Purity: 95%