4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide

C16H12N2O4 — CID 24758504

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12N2O4/c19-14(17-22)11-7-5-10(6-8-11)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,22H,9H2,(H,17,19)
InChIKeyYRRBSCMVOZIHKD-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.60
Rot. Bonds3

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide (PubChem CID 24758504) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide
PubChem CID24758504
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12N2O4/c19-14(17-22)11-7-5-10(6-8-11)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,22H,9H2,(H,17,19)
InChIKeyYRRBSCMVOZIHKD-UHFFFAOYSA-N
XLogP1.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.60
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-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide (CID 24758504) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide?
The InChIKey is YRRBSCMVOZIHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14(17-22)11-7-5-10(6-8-11)9-18-15(20)12-3-1-2-4-13(12)16(18)21/h1-8,22H,9H2,(H,17,19).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide has a molecular weight of 296.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 24758504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).