N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

C35H39BrFN3O6Si — CID 23787975

About N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23787975) has the molecular formula C35H39BrFN3O6Si and a molecular weight of 724.70 g/mol. Its IUPAC name is N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 23787975
• Molecular Formula: C35H39BrFN3O6Si
• Molecular Weight: 724.70 g/mol
• Exact Mass: 723.18
• IUPAC Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(Cc1ccc(N3CCOC3=O)cc1)c1ccc(Br)cc12
• InChI: InChI=1S/C35H39BrFN3O6Si/c1-23-32(47(2,3)37)30(20-31(42)38(15-17-41)21-24-7-5-4-6-8-24)46-35(23)28-19-26(36)11-14-29(28)40(33(35)43)22-25-9-12-27(13-10-25)39-16-18-45-34(39)44/h4-14,19,23,30,32,41H,15-18,20-22H2,1-3H3/t23-,30+,32-,35+/m0/s1
• InChIKey: KZYDMQVMJVLFDJ-QAEZYVEPSA-N
• XLogP: 6.14
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.70
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (CID 23787975) is N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is C[C@H]1[C@H]([Si](C)(C)F)[C@@H](CC(=O)N(CCO)Cc2ccccc2)O[C@]12C(=O)N(Cc1ccc(N3CCOC3=O)cc1)c1ccc(Br)cc12.

What is the InChIKey of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The InChIKey is KZYDMQVMJVLFDJ-QAEZYVEPSA-N. The full InChI is InChI=1S/C35H39BrFN3O6Si/c1-23-32(47(2,3)37)30(20-31(42)38(15-17-41)21-24-7-5-4-6-8-24)46-35(23)28-19-26(36)11-14-29(28)40(33(35)43)22-25-9-12-27(13-10-25)39-16-18-45-34(39)44/h4-14,19,23,30,32,41H,15-18,20-22H2,1-3H3/t23-,30+,32-,35+/m0/s1.

What are the key properties of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 724.70 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-bromo-3'-[fluoro(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23787975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).