N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C12H13N3O4 — CID 164619182

IUPACN-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCN1CC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O
InChIInChI=1S/C12H13N3O4/c1-14-7-10(16)15(12(14)18)6-8-2-4-9(5-3-8)11(17)13-19/h2-5,19H,6-7H2,1H3,(H,13,17)
InChIKeyXMMXGNQSGBKGHD-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.20
Rot. Bonds3

About N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 164619182) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID164619182
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCN1CC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O
InChIInChI=1S/C12H13N3O4/c1-14-7-10(16)15(12(14)18)6-8-2-4-9(5-3-8)11(17)13-19/h2-5,19H,6-7H2,1H3,(H,13,17)
InChIKeyXMMXGNQSGBKGHD-UHFFFAOYSA-N
XLogP0.20
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 164619182) is N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide is CN1CC(=O)N(Cc2ccc(C(=O)NO)cc2)C1=O.
What is the InChIKey of N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is XMMXGNQSGBKGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-14-7-10(16)15(12(14)18)6-8-2-4-9(5-3-8)11(17)13-19/h2-5,19H,6-7H2,1H3,(H,13,17).
What are the key properties of N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 263.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 164619182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).