[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C17H15FN2O4 — CID 2544542

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)NNC(=O)c1ccccc1
InChIInChI=1S/C17H15FN2O4/c18-14-9-5-4-8-13(14)10-16(22)24-11-15(21)19-20-17(23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)(H,20,23)
InChIKeyUQLRFMPZHMNIJN-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.37
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2544542) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2544542
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)NNC(=O)c1ccccc1
InChIInChI=1S/C17H15FN2O4/c18-14-9-5-4-8-13(14)10-16(22)24-11-15(21)19-20-17(23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)(H,20,23)
InChIKeyUQLRFMPZHMNIJN-UHFFFAOYSA-N
XLogP1.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.37
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-(2-fluorophenyl)acetate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2544542) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate is O=C(COC(=O)Cc1ccccc1F)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is UQLRFMPZHMNIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c18-14-9-5-4-8-13(14)10-16(22)24-11-15(21)19-20-17(23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,21)(H,20,23).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 330.31 g/mol, XLogP of 1.37, 5 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-(2-fluorophenyl)acetate is sourced from PubChem (CID 2544542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).