4-amino-2-chloro-N-(pyridin-2-yl)benzamide

• ChemBase ID: 124146
• Molecular Formular: C12H10ClN3O
• Molecular Mass: 247.6803
• Monoisotopic Mass: 247.05123964
• SMILES: C(=O)(c1c(cc(cc1)N)Cl)Nc1ncccc1
• Canonical SMILES: Nc1ccc(c(c1)Cl)C(=O)Nc1ccccn1
• InChI: InChI=1S/C12H10ClN3O/c13-10-7-8(14)4-5-9(10)12(17)16-11-3-1-2-6-15-11/h1-7H,14H2,(H,15,16,17)
• InChIKey: UCFVJVFQPUHUNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-chloro-N-(pyridin-2-yl)benzamide
• IUPAC Traditional name: 4-amino-2-chloro-N-(pyridin-2-yl)benzamide
• Synonyms: 4-amino-2-chloro-N-(pyridin-2-yl)benzamide

Database IDs

• PubChem SID: 162218499
• PubChem CID: 16773990

CALCULATED PROPERTIES

• Acid pKa: 10.449999
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.216193
• LogD (pH = 7.4): 2.216653
• Log P: 2.2170343
• Molar Refractivity: 69.2533 cm^3
• Polarizability: 25.078932 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true