2-amino-N-cycloheptylbenzamide

• ChemBase ID: 60738
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(c1c(N)cccc1)NC1CCCCCC1
• Canonical SMILES: O=C(c1ccccc1N)NC1CCCCCC1
• InChI: InChI=1S/C14H20N2O/c15-13-10-6-5-9-12(13)14(17)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8,15H2,(H,16,17)
• InChIKey: JYRFNVVNWLSKQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cycloheptylbenzamide
• IUPAC Traditional name: 2-amino-N-cycloheptylbenzamide
• Synonyms: 2-Amino-N-cycloheptylbenzamide

Database IDs

• MDL Number: MFCD10021546
• PubChem SID: 162026479
• PubChem CID: 28722052

CALCULATED PROPERTIES

• Acid pKa: 15.506004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1113765
• LogD (pH = 7.4): 3.1124616
• Log P: 3.1124754
• Molar Refractivity: 70.3487 cm^3
• Polarizability: 26.462973 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