5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C26H24F2N4O3 — CID 23932409

About 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23932409) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
• PubChem CID: 23932409
• Molecular Formula: C26H24F2N4O3
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.18
• IUPAC Name: 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
• SMILES: O=C(Nc1ccc(F)cc1)N1CC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c2cc(F)ccc21
• InChI: InChI=1S/C26H24F2N4O3/c27-19-3-6-21(7-4-19)29-25(33)31-17-26(23-15-20(28)5-10-24(23)31)11-13-30(14-12-26)16-18-1-8-22(9-2-18)32(34)35/h1-10,15H,11-14,16-17H2,(H,29,33)
• InChIKey: WFOQFNODNCHINA-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 78.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The IUPAC name of 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23932409) is 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The canonical SMILES for 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c2cc(F)ccc21.

What is the InChIKey of 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The InChIKey is WFOQFNODNCHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c27-19-3-6-21(7-4-19)29-25(33)31-17-26(23-15-20(28)5-10-24(23)31)11-13-30(14-12-26)16-18-1-8-22(9-2-18)32(34)35/h1-10,15H,11-14,16-17H2,(H,29,33).

What are the key properties of 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-(4-fluorophenyl)-1'-[(4-nitrophenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23932409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).