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

C31H37Cl2F2N3O4 — CID 25054749

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

(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 25054749) has the molecular formula C31H37Cl2F2N3O4 and a molecular weight of 624.56 g/mol. Its IUPAC name is (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 25054749
• Molecular Formula: C31H37Cl2F2N3O4
• Molecular Weight: 624.56 g/mol
• Exact Mass: 623.21
• IUPAC Name: (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCCC2C[C@@H](O)[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
• InChI: InChI=1S/C31H37Cl2F2N3O4/c1-30(2,3)14-24-31(17-12-20(34)19(33)13-21(17)37-29(31)42)25(16-7-4-8-18(32)26(16)35)27(38-24)28(41)36-9-5-6-15-10-22(39)23(40)11-15/h4,7-8,12-13,15,22-25,27,38-40H,5-6,9-11,14H2,1-3H3,(H,36,41)(H,37,42)/t15?,22-,23+,24-,25+,27-,31+/m1/s1
• InChIKey: MFCHVYIIWKEQEU-MJDVHLPCSA-N
• XLogP: 5.05
• TPSA: 110.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.56
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 25054749) is (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

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

The canonical SMILES for (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCCC2C[C@@H](O)[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.

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

The InChIKey is MFCHVYIIWKEQEU-MJDVHLPCSA-N. The full InChI is InChI=1S/C31H37Cl2F2N3O4/c1-30(2,3)14-24-31(17-12-20(34)19(33)13-21(17)37-29(31)42)25(16-7-4-8-18(32)26(16)35)27(38-24)28(41)36-9-5-6-15-10-22(39)23(40)11-15/h4,7-8,12-13,15,22-25,27,38-40H,5-6,9-11,14H2,1-3H3,(H,36,41)(H,37,42)/t15?,22-,23+,24-,25+,27-,31+/m1/s1.

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

(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 624.56 g/mol, XLogP of 5.05, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-[3-[(3S,4R)-3,4-dihydroxycyclopentyl]propyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 25054749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).