6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane

C30H33Cl2FN2O3Si — CID 86622028

About 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane

6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane (PubChem CID 86622028) has the molecular formula C30H33Cl2FN2O3Si and a molecular weight of 587.60 g/mol. Its IUPAC name is 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane.

Molecular Properties

• Compound Name: 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane
• PubChem CID: 86622028
• Molecular Formula: C30H33Cl2FN2O3Si
• Molecular Weight: 587.60 g/mol
• Exact Mass: 586.16
• IUPAC Name: 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane
• SMILES: COC(C)[Si](C)(C)C.O=C1CC(c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cccc(F)c2)N1
• InChI: InChI=1S/C24H17Cl2FN2O2.C6H16OSi/c25-15-5-1-3-13(9-15)19-12-21(30)29-22(14-4-2-6-17(27)10-14)24(19)18-8-7-16(26)11-20(18)28-23(24)31;1-6(7-2)8(3,4)5/h1-11,19,22H,12H2,(H,28,31)(H,29,30);6H,1-5H3
• InChIKey: ZNGRQSIEMJTGFQ-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.60
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane?

The IUPAC name of 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane (CID 86622028) is 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane.

What is the SMILES notation for 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane?

The canonical SMILES for 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane is COC(C)[Si](C)(C)C.O=C1CC(c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cccc(F)c2)N1.

What is the InChIKey of 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane?

The InChIKey is ZNGRQSIEMJTGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O2.C6H16OSi/c25-15-5-1-3-13(9-15)19-12-21(30)29-22(14-4-2-6-17(27)10-14)24(19)18-8-7-16(26)11-20(18)28-23(24)31;1-6(7-2)8(3,4)5/h1-11,19,22H,12H2,(H,28,31)(H,29,30);6H,1-5H3.

What are the key properties of 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane?

6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane has a molecular weight of 587.60 g/mol, XLogP of 7.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane is sourced from PubChem (CID 86622028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).