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

C27H24BrClN4O5 — CID 155526858

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

4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (PubChem CID 155526858) has the molecular formula C27H24BrClN4O5 and a molecular weight of 599.87 g/mol. Its IUPAC name is 4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
• PubChem CID: 155526858
• Molecular Formula: C27H24BrClN4O5
• Molecular Weight: 599.87 g/mol
• Exact Mass: 598.06
• IUPAC Name: 4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
• SMILES: O=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1
• InChI: InChI=1S/C27H24BrClN4O5/c28-20-7-3-18(4-8-20)16-32-23(26(36)33(27(32)37)22-11-9-21(29)10-12-22)13-14-24(34)30-15-17-1-5-19(6-2-17)25(35)31-38/h1-12,23,38H,13-16H2,(H,30,34)(H,31,35)
• InChIKey: JWQJXOONXFMYOI-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 119.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.87
LogP ≤ 5	4.66
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-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?

The IUPAC name of 4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (CID 155526858) is 4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

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

The canonical SMILES for 4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is O=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1.

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

The InChIKey is JWQJXOONXFMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrClN4O5/c28-20-7-3-18(4-8-20)16-32-23(26(36)33(27(32)37)22-11-9-21(29)10-12-22)13-14-24(34)30-15-17-1-5-19(6-2-17)25(35)31-38/h1-12,23,38H,13-16H2,(H,30,34)(H,31,35).

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

4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide has a molecular weight of 599.87 g/mol, XLogP of 4.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155526858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).