[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate

C16H13FN2O4 — CID 2640551

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13FN2O4/c17-13-9-5-4-8-12(13)16(22)23-10-14(20)18-19-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyQZXXQSFMPRTFMX-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.44
Rot. Bonds4

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2640551) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate
PubChem CID2640551
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate
SMILESO=C(COC(=O)c1ccccc1F)NNC(=O)c1ccccc1
InChIInChI=1S/C16H13FN2O4/c17-13-9-5-4-8-12(13)16(22)23-10-14(20)18-19-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyQZXXQSFMPRTFMX-UHFFFAOYSA-N
XLogP1.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate (CID 2640551) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate is O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is QZXXQSFMPRTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c17-13-9-5-4-8-12(13)16(22)23-10-14(20)18-19-15(21)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20)(H,19,21).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 316.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 2640551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).