6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C43H48Cl2FN3O4 — CID 66632709

About 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 66632709) has the molecular formula C43H48Cl2FN3O4 and a molecular weight of 760.78 g/mol. Its IUPAC name is 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 66632709
• Molecular Formula: C43H48Cl2FN3O4
• Molecular Weight: 760.78 g/mol
• Exact Mass: 759.30
• IUPAC Name: 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
• SMILES: CC(C)(C)CC1N(C(c2ccccc2)C(O)c2ccccc2)C(COCCN2CCOCC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C43H48Cl2FN3O4/c1-42(2,3)26-36-43(32-18-17-30(44)25-34(32)47-41(43)51)37(31-15-10-16-33(45)38(31)46)35(27-53-24-21-48-19-22-52-23-20-48)49(36)39(28-11-6-4-7-12-28)40(50)29-13-8-5-9-14-29/h4-18,25,35-37,39-40,50H,19-24,26-27H2,1-3H3,(H,47,51)
• InChIKey: KACIHGVPKHEOFE-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 74.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.78
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 66632709) is 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CC(C)(C)CC1N(C(c2ccccc2)C(O)c2ccccc2)C(COCCN2CCOCC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

The InChIKey is KACIHGVPKHEOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48Cl2FN3O4/c1-42(2,3)26-36-43(32-18-17-30(44)25-34(32)47-41(43)51)37(31-15-10-16-33(45)38(31)46)35(27-53-24-21-48-19-22-52-23-20-48)49(36)39(28-11-6-4-7-12-28)40(50)29-13-8-5-9-14-29/h4-18,25,35-37,39-40,50H,19-24,26-27H2,1-3H3,(H,47,51).

What are the key properties of 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?

6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 760.78 g/mol, XLogP of 8.42, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1'-(2-hydroxy-1,2-diphenylethyl)-5'-(2-morpholin-4-ylethoxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 66632709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).