4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

C₂₁H₂₁ClN₄O₅ — CID 155538824

About 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide

4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (PubChem CID 155538824) has the molecular formula C₂₁H₂₁ClN₄O₅ and a molecular weight of 444.88 g/mol. Its IUPAC name is 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
• PubChem CID: 155538824
• Molecular Formula: C₂₁H₂₁ClN₄O₅
• Molecular Weight: 444.88 g/mol
• Exact Mass: 444.12
• IUPAC Name: 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
• SMILES: CN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)NCc1ccc(C(=O)NO)cc1
• InChI: InChI=1S/C21H21ClN4O5/c1-25-17(20(29)26(21(25)30)16-8-6-15(22)7-9-16)10-11-18(27)23-12-13-2-4-14(5-3-13)19(28)24-31/h2-9,17,31H,10-12H2,1H3,(H,23,27)(H,24,28)
• InChIKey: DIRAPFBFWMRGDG-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 119.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.88
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

The IUPAC name of 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (CID 155538824) is 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

What is the SMILES notation for 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

The canonical SMILES for 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is CN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)NCc1ccc(C(=O)NO)cc1.

What is the InChIKey of 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

The InChIKey is DIRAPFBFWMRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O5/c1-25-17(20(29)26(21(25)30)16-8-6-15(22)7-9-16)10-11-18(27)23-12-13-2-4-14(5-3-13)19(28)24-31/h2-9,17,31H,10-12H2,1H3,(H,23,27)(H,24,28).

What are the key properties of 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide has a molecular weight of 444.88 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155538824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155538824 — identifiers, structure, computed properties (public domain)

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