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

C21H17FN2O2 — CID 166636408

IUPAC4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide
SMILESCc1ccc(-c2cncc(/C=C/c3ccc(C(=O)NO)cc3)c2)c(F)c1
InChIInChI=1S/C21H17FN2O2/c1-14-2-9-19(20(22)10-14)18-11-16(12-23-13-18)4-3-15-5-7-17(8-6-15)21(25)24-26/h2-13,26H,1H3,(H,24,25)/b4-3+
InChIKeyDCKYGRNENJYQPL-ONEGZZNKSA-N
MW348.38 g/mol
LogP4.49
Rot. Bonds4

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

4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide (PubChem CID 166636408) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide
PubChem CID166636408
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide
SMILESCc1ccc(-c2cncc(/C=C/c3ccc(C(=O)NO)cc3)c2)c(F)c1
InChIInChI=1S/C21H17FN2O2/c1-14-2-9-19(20(22)10-14)18-11-16(12-23-13-18)4-3-15-5-7-17(8-6-15)21(25)24-26/h2-13,26H,1H3,(H,24,25)/b4-3+
InChIKeyDCKYGRNENJYQPL-ONEGZZNKSA-N
XLogP4.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide (CID 166636408) is 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide is Cc1ccc(-c2cncc(/C=C/c3ccc(C(=O)NO)cc3)c2)c(F)c1.
What is the InChIKey of 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide?
The InChIKey is DCKYGRNENJYQPL-ONEGZZNKSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-2-9-19(20(22)10-14)18-11-16(12-23-13-18)4-3-15-5-7-17(8-6-15)21(25)24-26/h2-13,26H,1H3,(H,24,25)/b4-3+.
What are the key properties of 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide?
4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide has a molecular weight of 348.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-(2-fluoro-4-methylphenyl)-3-pyridinyl]ethenyl]-N-hydroxybenzamide is sourced from PubChem (CID 166636408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).