3-amino-4-chloro-N-cyclopentylbenzamide

• ChemBase ID: 123787
• Molecular Formular: C12H15ClN2O
• Molecular Mass: 238.7133
• Monoisotopic Mass: 238.08729079
• SMILES: C(=O)(c1cc(c(cc1)Cl)N)NC1CCCC1
• Canonical SMILES: O=C(c1ccc(c(c1)N)Cl)NC1CCCC1
• InChI: InChI=1S/C12H15ClN2O/c13-10-6-5-8(7-11(10)14)12(16)15-9-3-1-2-4-9/h5-7,9H,1-4,14H2,(H,15,16)
• InChIKey: ZANJJDXTYNFONJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-chloro-N-cyclopentylbenzamide
• IUPAC Traditional name: 3-amino-4-chloro-N-cyclopentylbenzamide
• Synonyms: 3-amino-4-chloro-N-cyclopentylbenzamide

Database IDs

• PubChem SID: 162218140
• PubChem CID: 16775204

CALCULATED PROPERTIES

• Acid pKa: 14.985164
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1772816
• LogD (pH = 7.4): 2.1773815
• Log P: 2.1773827
• Molar Refractivity: 65.9515 cm^3
• Polarizability: 24.665428 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true