2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

C28H28FN3O6 — CID 17382363

About 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 17382363) has the molecular formula C28H28FN3O6 and a molecular weight of 521.55 g/mol. Its IUPAC name is 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
• PubChem CID: 17382363
• Molecular Formula: C28H28FN3O6
• Molecular Weight: 521.55 g/mol
• Exact Mass: 521.20
• IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1
• InChI: InChI=1S/C28H28FN3O6/c1-36-22-11-7-20(8-12-22)30-26(33)17-23-27(34)32(21-9-5-19(29)6-10-21)28(35)31(23)15-14-18-4-13-24(37-2)25(16-18)38-3/h4-13,16,23H,14-15,17H2,1-3H3,(H,30,33)
• InChIKey: MJCQBOFSRKPZPO-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.55
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CID 17382363) is 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2C(=O)N(c3ccc(F)cc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1.

What is the InChIKey of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?

The InChIKey is MJCQBOFSRKPZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O6/c1-36-22-11-7-20(8-12-22)30-26(33)17-23-27(34)32(21-9-5-19(29)6-10-21)28(35)31(23)15-14-18-4-13-24(37-2)25(16-18)38-3/h4-13,16,23H,14-15,17H2,1-3H3,(H,30,33).

What are the key properties of 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?

2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 521.55 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 17382363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).