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

• ChemBase ID: 33285
• Molecular Formular: C13H10Cl2N2O
• Molecular Mass: 281.1373
• Monoisotopic Mass: 280.01701831
• SMILES: C(=O)(Nc1cc(c(cc1Cl)Cl)N)c1ccccc1
• Canonical SMILES: Clc1cc(Cl)c(cc1NC(=O)c1ccccc1)N
• InChI: InChI=1S/C13H10Cl2N2O/c14-9-6-10(15)12(7-11(9)16)17-13(18)8-4-2-1-3-5-8/h1-7H,16H2,(H,17,18)
• InChIKey: MHJJKIINOJNNOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00434573
• PubChem SID: 160996592
• PubChem CID: 20362285

CALCULATED PROPERTIES

• Acid pKa: 11.2172365
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.444198
• LogD (pH = 7.4): 3.4442298
• Log P: 3.444294
• Molar Refractivity: 75.9015 cm^3
• Polarizability: 27.839499 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