N-(2-aminophenyl)cyclopentanecarboxamide

• ChemBase ID: 308248
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: C(=O)(Nc1c(N)cccc1)C1CCCC1
• Canonical SMILES: O=C(C1CCCC1)Nc1ccccc1N
• InChI: InChI=1S/C12H16N2O/c13-10-7-3-4-8-11(10)14-12(15)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,13H2,(H,14,15)
• InChIKey: BCEIMNDORRXHFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)cyclopentanecarboxamide
• IUPAC Traditional name: N-(2-aminophenyl)cyclopentanecarboxamide
• Synonyms: N-(2-aminophenyl)cyclopentanecarboxamide

Database IDs

• CAS Number: 926217-21-2
• MDL Number: MFCD09044464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0470915
• LogD (pH = 7.4): 2.0509148
• Log P: 2.0509639
• Molar Refractivity: 62.2226 cm^3
• Polarizability: 22.984915 Å^3
• Polar Surface Area: 55.12 Å^2