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]benzamide

C28H34FN3O5Si — CID 23956239

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]benzamide

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]benzamide (PubChem CID 23956239) 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]benzamide.

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]benzamide
• PubChem CID: 23956239
• 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]benzamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]12C(=O)Nc1ccc(NC(=O)c3ccccc3)cc12
• InChI: InChI=1S/C28H34FN3O5Si/c1-17-25(38(2,3)29)23(15-24(34)32-13-7-10-20(32)16-33)37-28(17)21-14-19(11-12-22(21)31-27(28)36)30-26(35)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17,20,23,25,33H,7,10,13,15-16H2,1-3H3,(H,30,35)(H,31,36)/t17-,20-,23+,25-,28+/m0/s1
• InChIKey: RUDXCGIGDMLZBA-OSJHXUBQSA-N
• XLogP: 4.04
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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]benzamide?

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]benzamide (CID 23956239) 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]benzamide.

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]benzamide?

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]benzamide is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]12C(=O)Nc1ccc(NC(=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]benzamide?

The InChIKey is RUDXCGIGDMLZBA-OSJHXUBQSA-N. The full InChI is InChI=1S/C28H34FN3O5Si/c1-17-25(38(2,3)29)23(15-24(34)32-13-7-10-20(32)16-33)37-28(17)21-14-19(11-12-22(21)31-27(28)36)30-26(35)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17,20,23,25,33H,7,10,13,15-16H2,1-3H3,(H,30,35)(H,31,36)/t17-,20-,23+,25-,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]benzamide?

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]benzamide has a molecular weight of 539.68 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 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]benzamide is sourced from PubChem (CID 23956239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).