(3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C30H36Cl2FN3O2 — CID 70309886

About (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 70309886) has the molecular formula C30H36Cl2FN3O2 and a molecular weight of 560.54 g/mol. Its IUPAC name is (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 70309886
• Molecular Formula: C30H36Cl2FN3O2
• Molecular Weight: 560.54 g/mol
• Exact Mass: 559.22
• IUPAC Name: (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: CC(C)(C)C[C@H]1NC(C(=O)NCCC2CCCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
• InChI: InChI=1S/C30H36Cl2FN3O2/c1-29(2,3)16-24-30(20-14-22(33)21(32)15-23(20)35-28(30)38)25(18-9-6-10-19(31)13-18)26(36-24)27(37)34-12-11-17-7-4-5-8-17/h6,9-10,13-15,17,24-26,36H,4-5,7-8,11-12,16H2,1-3H3,(H,34,37)(H,35,38)/t24-,25+,26?,30+/m1/s1
• InChIKey: GFIORUXCNDIOHX-XISULHKTSA-N
• XLogP: 6.58
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.54
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The IUPAC name of (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 70309886) is (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

What is the SMILES notation for (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The canonical SMILES for (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CC(C)(C)C[C@H]1NC(C(=O)NCCC2CCCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.

What is the InChIKey of (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

The InChIKey is GFIORUXCNDIOHX-XISULHKTSA-N. The full InChI is InChI=1S/C30H36Cl2FN3O2/c1-29(2,3)16-24-30(20-14-22(33)21(32)15-23(20)35-28(30)38)25(18-9-6-10-19(31)13-18)26(36-24)27(37)34-12-11-17-7-4-5-8-17/h6,9-10,13-15,17,24-26,36H,4-5,7-8,11-12,16H2,1-3H3,(H,34,37)(H,35,38)/t24-,25+,26?,30+/m1/s1.

What are the key properties of (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?

(3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 560.54 g/mol, XLogP of 6.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'R,5'R)-6-chloro-3'-(3-chlorophenyl)-N-(2-cyclopentylethyl)-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 70309886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).