2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C27H25Cl2N5O4 — CID 58553864

About 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 58553864) has the molecular formula C27H25Cl2N5O4 and a molecular weight of 554.43 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• PubChem CID: 58553864
• Molecular Formula: C27H25Cl2N5O4
• Molecular Weight: 554.43 g/mol
• Exact Mass: 553.13
• IUPAC Name: 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• SMILES: CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)C4(CCCC4)N=C3c3ccc(Cl)cc3Cl)cc1C2
• InChI: InChI=1S/C27H25Cl2N5O4/c1-33-25(38)31-23(36)27(33)12-15-4-6-18(10-16(15)13-27)30-21(35)14-34-22(19-7-5-17(28)11-20(19)29)32-26(24(34)37)8-2-3-9-26/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,30,35)(H,31,36,38)
• InChIKey: YCFRPHYOZUIBPZ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 111.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.43
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 58553864) is 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)C4(CCCC4)N=C3c3ccc(Cl)cc3Cl)cc1C2.

What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The InChIKey is YCFRPHYOZUIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N5O4/c1-33-25(38)31-23(36)27(33)12-15-4-6-18(10-16(15)13-27)30-21(35)14-34-22(19-7-5-17(28)11-20(19)29)32-26(24(34)37)8-2-3-9-26/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,30,35)(H,31,36,38).

What are the key properties of 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 554.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 58553864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).