N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide

C28H34FN3O5Si — CID 23956240

About N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide

N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide (PubChem CID 23956240) has the molecular formula C28H34FN3O5Si and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide.

Molecular Properties

• Compound Name: N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide
• PubChem CID: 23956240
• Molecular Formula: C28H34FN3O5Si
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.23
• IUPAC Name: N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]12C(=O)Nc1ccc(N(C=O)c3ccccc3)cc12
• InChI: InChI=1S/C28H34FN3O5Si/c1-18-26(38(2,3)29)24(15-25(35)31-13-7-10-21(31)16-33)37-28(18)22-14-20(11-12-23(22)30-27(28)36)32(17-34)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,17-18,21,24,26,33H,7,10,13,15-16H2,1-3H3,(H,30,36)/t18-,21-,24+,26-,28+/m0/s1
• InChIKey: JZEDFQCDTJSZJC-AUTOORSOSA-N
• XLogP: 4.08
• TPSA: 99.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide?

The IUPAC name of N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide (CID 23956240) is N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide.

What is the SMILES notation for N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide?

The canonical SMILES for N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]12C(=O)Nc1ccc(N(C=O)c3ccccc3)cc12.

What is the InChIKey of N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide?

The InChIKey is JZEDFQCDTJSZJC-AUTOORSOSA-N. The full InChI is InChI=1S/C28H34FN3O5Si/c1-18-26(38(2,3)29)24(15-25(35)31-13-7-10-21(31)16-33)37-28(18)22-14-20(11-12-23(22)30-27(28)36)32(17-34)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,17-18,21,24,26,33H,7,10,13,15-16H2,1-3H3,(H,30,36)/t18-,21-,24+,26-,28+/m0/s1.

What are the key properties of N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide?

N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide has a molecular weight of 539.68 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,3'R,4'S,5'R)-4'-[fluoro(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-N-phenylformamide is sourced from PubChem (CID 23956240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).