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

C23H24BrN3O4 — CID 24544416

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

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide (PubChem CID 24544416) has the molecular formula C23H24BrN3O4 and a molecular weight of 486.37 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
• PubChem CID: 24544416
• Molecular Formula: C23H24BrN3O4
• Molecular Weight: 486.37 g/mol
• Exact Mass: 485.10
• IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
• SMILES: COc1ccc(Br)cc1CN(C)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
• InChI: InChI=1S/C23H24BrN3O4/c1-26(13-16-12-17(24)9-10-19(16)31-2)20(28)14-27-21(29)23(25-22(27)30)11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,12H,5,7,11,13-14H2,1-2H3,(H,25,30)
• InChIKey: NVOZPBLWNPAIGQ-UHFFFAOYSA-N
• XLogP: 3.20
• 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	486.37
LogP ≤ 5	3.20
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 N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide?

The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide (CID 24544416) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide.

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

The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide is COc1ccc(Br)cc1CN(C)C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.

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

The InChIKey is NVOZPBLWNPAIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O4/c1-26(13-16-12-17(24)9-10-19(16)31-2)20(28)14-27-21(29)23(25-22(27)30)11-5-7-15-6-3-4-8-18(15)23/h3-4,6,8-10,12H,5,7,11,13-14H2,1-2H3,(H,25,30).

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

N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide has a molecular weight of 486.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide is sourced from PubChem (CID 24544416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).