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

• ChemBase ID: 58003
• Molecular Formular: C13H15ClN2O2
• Molecular Mass: 266.7234
• Monoisotopic Mass: 266.08220541
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CCl
• Canonical SMILES: COc1cc2c(CCNC(=O)CCl)c[nH]c2cc1
• InChI: InChI=1S/C13H15ClN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
• InChIKey: UCLPNTKRPMTACI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00427702
• PubChem SID: 162062766
• PubChem CID: 192991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6849566
• LogD (pH = 7.4): 1.6849561
• Log P: 1.6849566
• Molar Refractivity: 71.0331 cm^3
• Polarizability: 28.435482 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.282957

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Classification: Derivatives & analogs of Natural Compounds