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

C27H25BrN4O5 — CID 155566620

IUPAC4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25BrN4O5/c28-21-12-8-19(9-13-21)17-31-23(26(35)32(27(31)36)22-4-2-1-3-5-22)14-15-24(33)29-16-18-6-10-20(11-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34)
InChIKeyZPPFSWHUYYRAEX-UHFFFAOYSA-N
MW565.42 g/mol
LogP4.00
Rot. Bonds9

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

4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (PubChem CID 155566620) has the molecular formula C27H25BrN4O5 and a molecular weight of 565.42 g/mol. Its IUPAC name is 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
PubChem CID155566620
Molecular FormulaC27H25BrN4O5
Molecular Weight565.42 g/mol
Exact Mass564.10
IUPAC Name4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25BrN4O5/c28-21-12-8-19(9-13-21)17-31-23(26(35)32(27(31)36)22-4-2-1-3-5-22)14-15-24(33)29-16-18-6-10-20(11-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34)
InChIKeyZPPFSWHUYYRAEX-UHFFFAOYSA-N
XLogP4.00
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.42
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide (CID 155566620) is 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is O=C(CCC1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc(Br)cc1)NCc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
The InChIKey is ZPPFSWHUYYRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4O5/c28-21-12-8-19(9-13-21)17-31-23(26(35)32(27(31)36)22-4-2-1-3-5-22)14-15-24(33)29-16-18-6-10-20(11-7-18)25(34)30-37/h1-13,23,37H,14-17H2,(H,29,33)(H,30,34).
What are the key properties of 4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide?
4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide has a molecular weight of 565.42 g/mol, XLogP of 4.00, 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]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155566620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).