4-amino-N-(2,5-dichlorophenyl)benzamide

• ChemBase ID: 23444
• Molecular Formular: C13H10Cl2N2O
• Molecular Mass: 281.1373
• Monoisotopic Mass: 280.01701831
• SMILES: C(=O)(Nc1cc(ccc1Cl)Cl)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C13H10Cl2N2O/c14-9-3-6-11(15)12(7-9)17-13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H,17,18)
• InChIKey: CBDHSRJBLBMSHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(2,5-dichlorophenyl)benzamide
• IUPAC Traditional name: 4-amino-N-(2,5-dichlorophenyl)benzamide
• Synonyms: 4-Amino-N-(2,5-dichlorophenyl)benzamide

Database IDs

• MDL Number: MFCD09805848
• PubChem SID: 160986751
• PubChem CID: 20121354

CALCULATED PROPERTIES

• Acid pKa: 10.559618
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4438403
• LogD (pH = 7.4): 3.4440026
• Log P: 3.444294
• Molar Refractivity: 75.9015 cm^3
• Polarizability: 27.84409 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false