1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C23H23ClFN5O5 — CID 10311348

About 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 10311348) has the molecular formula C23H23ClFN5O5 and a molecular weight of 503.92 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
• PubChem CID: 10311348
• Molecular Formula: C23H23ClFN5O5
• Molecular Weight: 503.92 g/mol
• Exact Mass: 503.14
• IUPAC Name: 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
• SMILES: COC1CC(C(=O)Nc2ccc(N3C(=O)CN(C)C3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
• InChI: InChI=1S/C23H23ClFN5O5/c1-28-12-20(31)30(23(28)34)15-7-8-18(17(25)9-15)27-21(32)19-10-16(35-2)11-29(19)22(33)26-14-5-3-13(24)4-6-14/h3-9,16,19H,10-12H2,1-2H3,(H,26,33)(H,27,32)
• InChIKey: WEYALBBOHKXOEM-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.92
LogP ≤ 5	3.14
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 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?

The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 10311348) is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?

The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is COC1CC(C(=O)Nc2ccc(N3C(=O)CN(C)C3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.

What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?

The InChIKey is WEYALBBOHKXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O5/c1-28-12-20(31)30(23(28)34)15-7-8-18(17(25)9-15)27-21(32)19-10-16(35-2)11-29(19)22(33)26-14-5-3-13(24)4-6-14/h3-9,16,19H,10-12H2,1-2H3,(H,26,33)(H,27,32).

What are the key properties of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?

1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 503.92 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10311348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).