2-(2-chloropropanamido)-N-(furan-2-ylmethyl)benzamide

• ChemBase ID: 253889
• Molecular Formular: C15H15ClN2O3
• Molecular Mass: 306.7442
• Monoisotopic Mass: 306.07712003
• SMILES: c1(C(=O)NCc2occc2)c(NC(=O)C(Cl)C)cccc1
• Canonical SMILES: O=C(C(Cl)C)Nc1ccccc1C(=O)NCc1ccco1
• InChI: InChI=1S/C15H15ClN2O3/c1-10(16)14(19)18-13-7-3-2-6-12(13)15(20)17-9-11-5-4-8-21-11/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)
• InChIKey: PXJNTWFBOUAIBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloropropanamido)-N-(furan-2-ylmethyl)benzamide
• IUPAC Traditional name: 2-(2-chloropropanamido)-N-(furan-2-ylmethyl)benzamide
• Synonyms: 2-(2-chloropropanamido)-N-(furan-2-ylmethyl)benzamide

Database IDs

• MDL Number: MFCD14705557
• PubChem SID: 164309799
• PubChem CID: 47002121

CALCULATED PROPERTIES

• Acid pKa: 12.034945
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8261
• LogD (pH = 7.4): 2.8260908
• Log P: 2.8261003
• Molar Refractivity: 81.1467 cm^3
• Polarizability: 30.06672 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104°C
• Hydrophobicity(logP): 2.76

Product Information

• Purity: 95%