2-amino-N-cyclohexylbenzamide

• ChemBase ID: 52031
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: C(=O)(c1c(cccc1)N)NC1CCCCC1
• Canonical SMILES: O=C(c1ccccc1N)NC1CCCCC1
• InChI: InChI=1S/C13H18N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2,(H,15,16)
• InChIKey: AHWGBTCRPVCUBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 56814-11-0
• MDL Number: MFCD00060339
• PubChem SID: 162056794
• PubChem CID: 577661

CALCULATED PROPERTIES

• Acid pKa: 15.506004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6668484
• LogD (pH = 7.4): 2.6678934
• Log P: 2.6679068
• Molar Refractivity: 65.7477 cm^3
• Polarizability: 24.620148 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153-156°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false