[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate

C16H13FN2O6 — CID 7870755

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H13FN2O6/c17-12-4-2-1-3-10(12)15(23)19-18-14(22)8-25-16(24)11-6-5-9(20)7-13(11)21/h1-7,20-21H,8H2,(H,18,22)(H,19,23)
InChIKeyMBXKPTVBEXSWHK-UHFFFAOYSA-N
MW348.29 g/mol
LogP0.85
Rot. Bonds4

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 7870755) has the molecular formula C16H13FN2O6 and a molecular weight of 348.29 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID7870755
Molecular FormulaC16H13FN2O6
Molecular Weight348.29 g/mol
Exact Mass348.08
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H13FN2O6/c17-12-4-2-1-3-10(12)15(23)19-18-14(22)8-25-16(24)11-6-5-9(20)7-13(11)21/h1-7,20-21H,8H2,(H,18,22)(H,19,23)
InChIKeyMBXKPTVBEXSWHK-UHFFFAOYSA-N
XLogP0.85
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate (CID 7870755) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is MBXKPTVBEXSWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O6/c17-12-4-2-1-3-10(12)15(23)19-18-14(22)8-25-16(24)11-6-5-9(20)7-13(11)21/h1-7,20-21H,8H2,(H,18,22)(H,19,23).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 348.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 7870755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).