4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide

C20H15FN2O3 — CID 166631579

IUPAC4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C20H15FN2O3/c21-16-7-8-19(24)17(12-16)18-11-14(9-10-22-18)2-1-13-3-5-15(6-4-13)20(25)23-26/h1-12,24,26H,(H,23,25)/b2-1+
InChIKeyVGKKGRCWLFYQQB-OWOJBTEDSA-N
MW350.35 g/mol
LogP3.88
Rot. Bonds4

About 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide

4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide (PubChem CID 166631579) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
PubChem CID166631579
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C20H15FN2O3/c21-16-7-8-19(24)17(12-16)18-11-14(9-10-22-18)2-1-13-3-5-15(6-4-13)20(25)23-26/h1-12,24,26H,(H,23,25)/b2-1+
InChIKeyVGKKGRCWLFYQQB-OWOJBTEDSA-N
XLogP3.88
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.88
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide (CID 166631579) is 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide is O=C(NO)c1ccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)cc1.
What is the InChIKey of 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
The InChIKey is VGKKGRCWLFYQQB-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-16-7-8-19(24)17(12-16)18-11-14(9-10-22-18)2-1-13-3-5-15(6-4-13)20(25)23-26/h1-12,24,26H,(H,23,25)/b2-1+.
What are the key properties of 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide has a molecular weight of 350.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide is sourced from PubChem (CID 166631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).