2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide

C23H24FN3O4 — CID 55373897

About 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide

2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 55373897) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
• PubChem CID: 55373897
• Molecular Formula: C23H24FN3O4
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.18
• IUPAC Name: 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
• SMILES: COc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)cc1F
• InChI: InChI=1S/C23H24FN3O4/c1-26(13-15-7-8-19(31-2)18(24)11-15)20(28)14-27-21(29)23(25-22(27)30)10-9-16-5-3-4-6-17(16)12-23/h3-8,11H,9-10,12-14H2,1-2H3,(H,25,30)
• InChIKey: JEMROZROLJNOJH-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?

The IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide (CID 55373897) is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)cc1F.

What is the InChIKey of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?

The InChIKey is JEMROZROLJNOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-26(13-15-7-8-19(31-2)18(24)11-15)20(28)14-27-21(29)23(25-22(27)30)10-9-16-5-3-4-6-17(16)12-23/h3-8,11H,9-10,12-14H2,1-2H3,(H,25,30).

What are the key properties of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?

2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 425.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55373897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).