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

C26H22ClN3O5 — CID 55344108

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

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 55344108) has the molecular formula C26H22ClN3O5 and a molecular weight of 491.93 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 55344108
• Molecular Formula: C26H22ClN3O5
• Molecular Weight: 491.93 g/mol
• Exact Mass: 491.12
• IUPAC Name: N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: COc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1
• InChI: InChI=1S/C26H22ClN3O5/c1-34-18-7-9-19(10-8-18)35-22-11-6-17(27)14-21(22)28-23(31)15-30-24(32)26(29-25(30)33)13-12-16-4-2-3-5-20(16)26/h2-11,14H,12-13,15H2,1H3,(H,28,31)(H,29,33)
• InChIKey: HOHUWBLDIPMPLS-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.93
LogP ≤ 5	4.47
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 N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 55344108) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1.

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

The InChIKey is HOHUWBLDIPMPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5/c1-34-18-7-9-19(10-8-18)35-22-11-6-17(27)14-21(22)28-23(31)15-30-24(32)26(29-25(30)33)13-12-16-4-2-3-5-20(16)26/h2-11,14H,12-13,15H2,1H3,(H,28,31)(H,29,33).

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

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 491.93 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 55344108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).