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

C20H19ClN4O5 — CID 175797149

IUPAC2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)Nc1ccccc1C(=O)NO
InChIInChI=1S/C20H19ClN4O5/c1-24-16(19(28)25(20(24)29)13-8-6-12(21)7-9-13)10-11-17(26)22-15-5-3-2-4-14(15)18(27)23-30/h2-9,16,30H,10-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyBIHWBACYMYCZGI-UHFFFAOYSA-N
MW430.85 g/mol
LogP2.64
Rot. Bonds6

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

2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (PubChem CID 175797149) has the molecular formula C20H19ClN4O5 and a molecular weight of 430.85 g/mol. Its IUPAC name is 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
PubChem CID175797149
Molecular FormulaC20H19ClN4O5
Molecular Weight430.85 g/mol
Exact Mass430.10
IUPAC Name2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C1CCC(=O)Nc1ccccc1C(=O)NO
InChIInChI=1S/C20H19ClN4O5/c1-24-16(19(28)25(20(24)29)13-8-6-12(21)7-9-13)10-11-17(26)22-15-5-3-2-4-14(15)18(27)23-30/h2-9,16,30H,10-11H2,1H3,(H,22,26)(H,23,27)
InChIKeyBIHWBACYMYCZGI-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide (CID 175797149) is 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 2-[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)Nc1ccccc1C(=O)NO.
What is the InChIKey of 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
The InChIKey is BIHWBACYMYCZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5/c1-24-16(19(28)25(20(24)29)13-8-6-12(21)7-9-13)10-11-17(26)22-15-5-3-2-4-14(15)18(27)23-30/h2-9,16,30H,10-11H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide?
2-[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 2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide is sourced from PubChem (CID 175797149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).