2-amino-N-cyclopentylbenzamide

• ChemBase ID: 235753
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: C(=O)(c1c(N)cccc1)NC1CCCC1
• Canonical SMILES: O=C(c1ccccc1N)NC1CCCC1
• InChI: InChI=1S/C12H16N2O/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,13H2,(H,14,15)
• InChIKey: PHVOXPMLASKJCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopentylbenzamide
• IUPAC Traditional name: 2-amino-N-cyclopentylbenzamide
• Synonyms: 2-amino-N-cyclopentylbenzamide

Database IDs

• CAS Number: 142141-37-5
• MDL Number: MFCD06001620
• PubChem SID: 164291663
• PubChem CID: 1253061

CALCULATED PROPERTIES

• Acid pKa: 15.506004
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2223241
• LogD (pH = 7.4): 2.2233253
• Log P: 2.2233381
• Molar Refractivity: 61.1467 cm^3
• Polarizability: 22.777935 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 2.026

Product Information

• Purity: 95%