4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide

C17H16FN3O3 — CID 168907937

IUPAC4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
SMILESCCN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1
InChIInChI=1S/C17H16FN3O3/c1-2-21(17(23)12-6-4-3-5-7-12)19-11-14-9-8-13(10-15(14)18)16(22)20-24/h3-11,24H,2H2,1H3,(H,20,22)/b19-11+
InChIKeyQMIGDZMIESVGCS-YBFXNURJSA-N
MW329.33 g/mol
LogP2.44
Rot. Bonds5

About 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide

4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide (PubChem CID 168907937) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
PubChem CID168907937
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
SMILESCCN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1
InChIInChI=1S/C17H16FN3O3/c1-2-21(17(23)12-6-4-3-5-7-12)19-11-14-9-8-13(10-15(14)18)16(22)20-24/h3-11,24H,2H2,1H3,(H,20,22)/b19-11+
InChIKeyQMIGDZMIESVGCS-YBFXNURJSA-N
XLogP2.44
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
CID 168907975
N-[(E)-[2-fluoro-4-(hydroxycarbamoyl)phenyl]methylideneamino]-N-methylpyridine-3-carboxamide
CID 168908064
3-fluoro-N-hydroxy-4-[(E)-[[2-(trifluoromethoxy)benzoyl]hydrazinylidene]methyl]benzamide
CID 168907872
4-[(E)-[(2-bromobenzoyl)-methylhydrazinylidene]methyl]-3-chloro-N-hydroxybenzamide
CID 168907848
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
3-[2-fluoro-4-(pentylcarbamoyl)phenyl]prop-2-enoic acid
CID 76914025
N-hydroxybenzamide;nickel
CID 88846751
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088
3-fluoro-N-hydroxybenzamide
CID 5082377
3-[2-fluoro-4-(methylcarbamoyl)phenyl]prop-2-enoic acid
CID 76913953
calcium;hydride;N-hydroxybenzamide
CID 175061214
methyl 3-fluoro-4-[(E)-[(2-fluoro-5-methoxybenzoyl)-methylhydrazinylidene]methyl]benzoate
CID 168907894

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide (CID 168907937) is 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide is CCN(/N=C/c1ccc(C(=O)NO)cc1F)C(=O)c1ccccc1.
What is the InChIKey of 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
The InChIKey is QMIGDZMIESVGCS-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-2-21(17(23)12-6-4-3-5-7-12)19-11-14-9-8-13(10-15(14)18)16(22)20-24/h3-11,24H,2H2,1H3,(H,20,22)/b19-11+.
What are the key properties of 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide?
4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide has a molecular weight of 329.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[benzoyl(ethyl)hydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 168907937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).