2-(2-aminophenyl)-N-cyclopropylacetamide

• ChemBase ID: 123918
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: C(=O)(NC1CC1)Cc1c(N)cccc1
• Canonical SMILES: O=C(Cc1ccccc1N)NC1CC1
• InChI: InChI=1S/C11H14N2O/c12-10-4-2-1-3-8(10)7-11(14)13-9-5-6-9/h1-4,9H,5-7,12H2,(H,13,14)
• InChIKey: SNGKAKIDLUPAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218271
• PubChem CID: 16775811

CALCULATED PROPERTIES

• Acid pKa: 15.872986
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6581158
• LogD (pH = 7.4): 0.6642869
• Log P: 0.6643661
• Molar Refractivity: 55.9961 cm^3
• Polarizability: 21.15174 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true