4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide

C18H16N2O4 — CID 162643782

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CCC2=O)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-8-9-17(22)20(16)11-12-6-7-14(18(23)19-24)15(10-12)13-4-2-1-3-5-13/h1-7,10,24H,8-9,11H2,(H,19,23)
InChIKeyXJSCTVQZGQHBJQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.12
Rot. Bonds4

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide (PubChem CID 162643782) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide
PubChem CID162643782
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CCC2=O)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O4/c21-16-8-9-17(22)20(16)11-12-6-7-14(18(23)19-24)15(10-12)13-4-2-1-3-5-13/h1-7,10,24H,8-9,11H2,(H,19,23)
InChIKeyXJSCTVQZGQHBJQ-UHFFFAOYSA-N
XLogP2.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide (CID 162643782) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide is O=C(NO)c1ccc(CN2C(=O)CCC2=O)cc1-c1ccccc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The InChIKey is XJSCTVQZGQHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-16-8-9-17(22)20(16)11-12-6-7-14(18(23)19-24)15(10-12)13-4-2-1-3-5-13/h1-7,10,24H,8-9,11H2,(H,19,23).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide has a molecular weight of 324.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-hydroxy-2-phenylbenzamide is sourced from PubChem (CID 162643782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).