YRRBSCMVOZIHKD-UHFFFAOYSA-N

C₁₆H₁₂N₂O₄ — CID 24758504

About YRRBSCMVOZIHKD-UHFFFAOYSA-N

YRRBSCMVOZIHKD-UHFFFAOYSA-N (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 Name: YRRBSCMVOZIHKD-UHFFFAOYSA-N
• PubChem CID: 24758504
• Molecular Formula: C₁₆H₁₂N₂O₄
• Molecular Weight: 296.28 g/mol
• Exact Mass: 296.08
• IUPAC Name: 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide
• SMILES: O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
• InChI: 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)
• InChIKey: YRRBSCMVOZIHKD-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.28
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of YRRBSCMVOZIHKD-UHFFFAOYSA-N?

The IUPAC name of YRRBSCMVOZIHKD-UHFFFAOYSA-N (CID 24758504) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxybenzamide.

What is the SMILES notation for YRRBSCMVOZIHKD-UHFFFAOYSA-N?

The canonical SMILES for YRRBSCMVOZIHKD-UHFFFAOYSA-N is O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.

What is the InChIKey of YRRBSCMVOZIHKD-UHFFFAOYSA-N?

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 YRRBSCMVOZIHKD-UHFFFAOYSA-N?

YRRBSCMVOZIHKD-UHFFFAOYSA-N 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 YRRBSCMVOZIHKD-UHFFFAOYSA-N is sourced from PubChem (CID 24758504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 24758504 — identifiers, structure, computed properties (public domain)

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