4-amino-N-cyclopentylbenzamide

• ChemBase ID: 26846
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: C(=O)(NC1CCCC1)c1ccc(N)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N)NC1CCCC1
• InChI: InChI=1S/C12H16N2O/c13-10-7-5-9(6-8-10)12(15)14-11-3-1-2-4-11/h5-8,11H,1-4,13H2,(H,14,15)
• InChIKey: RYWXWLQEGTXUCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-cyclopentylbenzamide
• IUPAC Traditional name: 4-amino-N-cyclopentylbenzamide
• Synonyms: 4-Amino-N-cyclopentylbenzamide

Database IDs

• MDL Number: MFCD04035385
• PubChem SID: 160990153
• PubChem CID: 1132836

CALCULATED PROPERTIES

• Acid pKa: 15.8543625
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5696195
• LogD (pH = 7.4): 1.5732911
• Log P: 1.573338
• Molar Refractivity: 61.1467 cm^3
• Polarizability: 22.776018 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 1.426

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%