N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C21H20ClN3O4 — CID 42898041

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 42898041) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 42898041
• Molecular Formula: C21H20ClN3O4
• Molecular Weight: 413.86 g/mol
• Exact Mass: 413.11
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C21H20ClN3O4/c1-12-9-16(17(29-2)10-15(12)22)23-18(26)11-25-19(27)21(24-20(25)28)8-7-13-5-3-4-6-14(13)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,26)(H,24,28)
• InChIKey: VJSDUOFHEMOIBG-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.86
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
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-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 42898041) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is VJSDUOFHEMOIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-12-9-16(17(29-2)10-15(12)22)23-18(26)11-25-19(27)21(24-20(25)28)8-7-13-5-3-4-6-14(13)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,26)(H,24,28).

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 413.86 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 42898041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).