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

C21H21ClN4O5 — CID 155538824

IUPAC4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)NCc1ccc(C(=O)NO)cc1
InChIInChI=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)
InChIKeyDIRAPFBFWMRGDG-UHFFFAOYSA-N
MW444.88 g/mol
LogP2.32
Rot. Bonds7

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 Name4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
PubChem CID155538824
Molecular FormulaC21H21ClN4O5
Molecular Weight444.88 g/mol
Exact Mass444.12
IUPAC Name4-[[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)NCc1ccc(C(=O)NO)cc1
InChIInChI=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)
InChIKeyDIRAPFBFWMRGDG-UHFFFAOYSA-N
XLogP2.32
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 52.32
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-[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).