2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide

• ChemBase ID: 127420
• Molecular Formular: C28H36Cl2N2O
• Molecular Mass: 487.50424
• Monoisotopic Mass: 486.22046914
• SMILES: c1cc(Cl)ccc1c1[nH]c2ccc(Cl)cc2c1CC(=O)N(CCCCCC)CCCCCC
• Canonical SMILES: CCCCCCN(C(=O)Cc1c([nH]c2c1cc(Cl)cc2)c1ccc(cc1)Cl)CCCCCC
• InChI: InChI=1S/C28H36Cl2N2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-23(30)15-16-26(24)31-28(25)21-11-13-22(29)14-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3
• InChIKey: XTZUPNNVXIMWAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
• IUPAC Traditional name: 2-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide
• Synonyms: FGIN-143

Database IDs

• CAS Number: 145040-29-5
• PubChem SID: 162221741
• PubChem CID: 3995234
• Wikipedia Title: FGIN-143

CALCULATED PROPERTIES

• Acid pKa: 14.653655
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 8.551554
• LogD (pH = 7.4): 8.551554
• Log P: 8.551554
• Molar Refractivity: 140.8422 cm^3
• Polarizability: 57.231926 Å^3
• Polar Surface Area: 36.1 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false