4-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

• ChemBase ID: 180855
• Molecular Formular: C18H17ClN2O2
• Molecular Mass: 328.79278
• Monoisotopic Mass: 328.09785547
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)c1ccc(cc1)Cl
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1ccc(cc1)Cl)c[nH]2
• InChI: InChI=1S/C18H17ClN2O2/c1-23-15-6-7-17-16(10-15)13(11-21-17)8-9-20-18(22)12-2-4-14(19)5-3-12/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
• InChIKey: XRCGDEXZISQQTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
• IUPAC Traditional name: 4-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

Database IDs

• PubChem SID: 164236765
• PubChem CID: 792937

CALCULATED PROPERTIES

• Acid pKa: 14.737765
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.6058316
• LogD (pH = 7.4): 3.6058319
• Log P: 3.6058319
• Molar Refractivity: 91.7552 cm^3
• Polarizability: 36.018505 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds