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

C26H22BrClN4O5 — CID 155517086

IUPAC4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H22BrClN4O5/c27-18-5-1-16(2-6-18)15-31-22(25(35)32(26(31)36)21-11-7-19(28)8-12-21)13-14-23(33)29-20-9-3-17(4-10-20)24(34)30-37/h1-12,22,37H,13-15H2,(H,29,33)(H,30,34)
InChIKeyCDURLFYCCIFYGY-UHFFFAOYSA-N
MW585.84 g/mol
LogP4.98
Rot. Bonds8

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

4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (PubChem CID 155517086) has the molecular formula C26H22BrClN4O5 and a molecular weight of 585.84 g/mol. Its IUPAC name is 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
PubChem CID155517086
Molecular FormulaC26H22BrClN4O5
Molecular Weight585.84 g/mol
Exact Mass584.05
IUPAC Name4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESO=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H22BrClN4O5/c27-18-5-1-16(2-6-18)15-31-22(25(35)32(26(31)36)21-11-7-19(28)8-12-21)13-14-23(33)29-20-9-3-17(4-10-20)24(34)30-37/h1-12,22,37H,13-15H2,(H,29,33)(H,30,34)
InChIKeyCDURLFYCCIFYGY-UHFFFAOYSA-N
XLogP4.98
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.84
LogP ≤ 54.98
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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Related Compounds

4-[[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
CID 155513825
4-[[3-[1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
CID 155515806
HDAC6 inhibitor 10c
CID 155518106
4-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
CID 155521272
4-[3-[1-(4-chlorophenyl)-2,5-dioxo-3-propylimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
CID 155526729
4-[[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
CID 155526858
4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
CID 155537857
4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
CID 155538824
4-[3-[1-benzyl-3-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
CID 155548358
4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
CID 155566620
(S)-4-(3-(2-((3-chlorophenyl)amino)-2-oxo-1-phenylethyl)ureido)-N-(6-(hydroxyamino)-6-oxohexyl)benzamide (L12)
CID 72705873
CID 11655870
CID 11655870

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (CID 155517086) is 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is O=C(CCC1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The InChIKey is CDURLFYCCIFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrClN4O5/c27-18-5-1-16(2-6-18)15-31-22(25(35)32(26(31)36)21-11-7-19(28)8-12-21)13-14-23(33)29-20-9-3-17(4-10-20)24(34)30-37/h1-12,22,37H,13-15H2,(H,29,33)(H,30,34).
What are the key properties of 4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
4-[3-[3-[(4-bromophenyl)methyl]-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide has a molecular weight of 585.84 g/mol, XLogP of 4.98, 8 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]-N-hydroxybenzamide is sourced from PubChem (CID 155517086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).