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

C20H15FN2O3 — CID 166634188

IUPAC3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1
InChIInChI=1S/C20H15FN2O3/c21-16-6-7-19(24)17(12-16)18-11-14(8-9-22-18)5-4-13-2-1-3-15(10-13)20(25)23-26/h1-12,24,26H,(H,23,25)/b5-4+
InChIKeyUIQIHYANPYDABS-SNAWJCMRSA-N
MW350.35 g/mol
LogP3.88
Rot. Bonds4

About 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide

3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide (PubChem CID 166634188) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
PubChem CID166634188
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1
InChIInChI=1S/C20H15FN2O3/c21-16-6-7-19(24)17(12-16)18-11-14(8-9-22-18)5-4-13-2-1-3-15(10-13)20(25)23-26/h1-12,24,26H,(H,23,25)/b5-4+
InChIKeyUIQIHYANPYDABS-SNAWJCMRSA-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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Related Compounds

(E)-N-hydroxy-3-[4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]phenyl]prop-2-enamide
CID 166627669
3-fluoro-N-hydroxybenzamide
CID 5082377
(E)-3-[2-[(3-fluorobenzoyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822099
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile
CID 174884177
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
CID 155479516
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
N-[4-(5-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 861981
cadmium(2+);bis(3-[(E)-2-pyridin-4-ylethenyl]benzoate)
CID 15364197
4-[(E)-2-(3-fluorophenyl)ethenyl]benzoic acid
CID 170326010
[4-[(E)-2-[2-[4-[(E)-2-(4-phosphonophenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]phosphonic acid
CID 58250279

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
The IUPAC name of 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide (CID 166634188) is 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
The canonical SMILES for 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide is O=C(NO)c1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1.
What is the InChIKey of 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
The InChIKey is UIQIHYANPYDABS-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-16-6-7-19(24)17(12-16)18-11-14(8-9-22-18)5-4-13-2-1-3-15(10-13)20(25)23-26/h1-12,24,26H,(H,23,25)/b5-4+.
What are the key properties of 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide?
3-[(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 3-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide is sourced from PubChem (CID 166634188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).