2-chloro-N-[4-(2,3-dihydro-1H-indol-1-yl)phenyl]acetamide

• ChemBase ID: 260721
• Molecular Formular: C16H15ClN2O
• Molecular Mass: 286.7561
• Monoisotopic Mass: 286.08729079
• SMILES: N1(c2c(CC1)cccc2)c1ccc(NC(=O)CCl)cc1
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)N1CCc2c1cccc2
• InChI: InChI=1S/C16H15ClN2O/c17-11-16(20)18-13-5-7-14(8-6-13)19-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,18,20)
• InChIKey: DBCXVEIQFRNKSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(2,3-dihydro-1H-indol-1-yl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(2,3-dihydroindol-1-yl)phenyl]acetamide
• Synonyms: 2-chloro-N-[4-(2,3-dihydro-1H-indol-1-yl)phenyl]acetamide

Database IDs

• MDL Number: MFCD20441504
• PubChem SID: 164316631
• PubChem CID: 54592506

CALCULATED PROPERTIES

• Acid pKa: 14.603784
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.451761
• LogD (pH = 7.4): 3.4517899
• Log P: 3.4517903
• Molar Refractivity: 82.3667 cm^3
• Polarizability: 30.629187 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 3.963

Product Information

• Purity: 95%