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

C20H19ClN4O5 — CID 155537857

IUPAC4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19ClN4O5/c1-24-16(19(28)25(20(24)29)15-8-4-13(21)5-9-15)10-11-17(26)22-14-6-2-12(3-7-14)18(27)23-30/h2-9,16,30H,10-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyVEINSWQURJKEMM-UHFFFAOYSA-N
MW430.85 g/mol
LogP2.64
Rot. Bonds6

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

4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (PubChem CID 155537857) has the molecular formula C20H19ClN4O5 and a molecular weight of 430.85 g/mol. Its IUPAC name is 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
PubChem CID155537857
Molecular FormulaC20H19ClN4O5
Molecular Weight430.85 g/mol
Exact Mass430.10
IUPAC Name4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)Nc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H19ClN4O5/c1-24-16(19(28)25(20(24)29)15-8-4-13(21)5-9-15)10-11-17(26)22-14-6-2-12(3-7-14)18(27)23-30/h2-9,16,30H,10-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyVEINSWQURJKEMM-UHFFFAOYSA-N
XLogP2.64
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 52.64
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-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
1-(4-chlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 24788696
sEH inhibitor B15
CID 164946818
N-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]-3-methylbenzamide
CID 168293603
3(4-Chlorobenzoyl)-1phenyl-imidazolidin-2,4-dione
CID 10615215
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-p-tolylpyrrolidine-1,2-dicarboxamide
CID 25233579
cis-1-(4-chlorophenyl)-3-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)urea
CID 44432542
4-[[1-(4-chlorophenyl)-3-methyl-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
CID 57524021
4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]amino]-N-hydroxybenzamide
CID 57524273
4-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
CID 57524665
4-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
CID 57524666
4-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
CID 57524748

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (CID 155537857) is 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is CN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)Nc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The InChIKey is VEINSWQURJKEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5/c1-24-16(19(28)25(20(24)29)15-8-4-13(21)5-9-15)10-11-17(26)22-14-6-2-12(3-7-14)18(27)23-30/h2-9,16,30H,10-11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
4-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide has a molecular weight of 430.85 g/mol, XLogP of 2.64, 6 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]-N-hydroxybenzamide is sourced from PubChem (CID 155537857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).