N-(5-amino-2-chlorophenyl)benzamide

• ChemBase ID: 45505
• Molecular Formular: C13H11ClN2O
• Molecular Mass: 246.69224
• Monoisotopic Mass: 246.05599066
• SMILES: C(=O)(Nc1cc(N)ccc1Cl)c1ccccc1
• Canonical SMILES: Nc1ccc(c(c1)NC(=O)c1ccccc1)Cl
• InChI: InChI=1S/C13H11ClN2O/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)
• InChIKey: UYXSEGQERLWLDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-chlorophenyl)benzamide
• IUPAC Traditional name: N-(5-amino-2-chlorophenyl)benzamide
• Synonyms: N-(5-Amino-2-chlorophenyl)benzamide

Database IDs

• MDL Number: MFCD01145120
• PubChem SID: 162050268
• PubChem CID: 721122

CALCULATED PROPERTIES

• Acid pKa: 11.60275
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8379781
• LogD (pH = 7.4): 2.8401947
• Log P: 2.8402493
• Molar Refractivity: 71.0967 cm^3
• Polarizability: 25.940765 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