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

C21H16FNO3 — CID 166636341

IUPAC4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C=C/c2cccc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C21H16FNO3/c22-18-10-11-20(24)19(13-18)17-3-1-2-15(12-17)5-4-14-6-8-16(9-7-14)21(25)23-26/h1-13,24,26H,(H,23,25)/b5-4+
InChIKeyQZYCWYJTPKJHJD-SNAWJCMRSA-N
MW349.36 g/mol
LogP4.49
Rot. Bonds4

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

4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide (PubChem CID 166636341) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide
PubChem CID166636341
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C=C/c2cccc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C21H16FNO3/c22-18-10-11-20(24)19(13-18)17-3-1-2-15(12-17)5-4-14-6-8-16(9-7-14)21(25)23-26/h1-13,24,26H,(H,23,25)/b5-4+
InChIKeyQZYCWYJTPKJHJD-SNAWJCMRSA-N
XLogP4.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide (CID 166636341) is 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide is O=C(NO)c1ccc(/C=C/c2cccc(-c3cc(F)ccc3O)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide?
The InChIKey is QZYCWYJTPKJHJD-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-18-10-11-20(24)19(13-18)17-3-1-2-15(12-17)5-4-14-6-8-16(9-7-14)21(25)23-26/h1-13,24,26H,(H,23,25)/b5-4+.
What are the key properties of 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide?
4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide has a molecular weight of 349.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-(5-fluoro-2-hydroxyphenyl)phenyl]ethenyl]-N-hydroxybenzamide is sourced from PubChem (CID 166636341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).