[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate

C18H13FN2O4S — CID 7887272

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2s1)NNC(=O)c1ccccc1F
InChIInChI=1S/C18H13FN2O4S/c19-13-7-3-2-6-12(13)17(23)21-20-16(22)10-25-18(24)15-9-11-5-1-4-8-14(11)26-15/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyHMBMUKABLGEXET-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.66
Rot. Bonds4

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate (PubChem CID 7887272) has the molecular formula C18H13FN2O4S and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
PubChem CID7887272
Molecular FormulaC18H13FN2O4S
Molecular Weight372.38 g/mol
Exact Mass372.06
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2s1)NNC(=O)c1ccccc1F
InChIInChI=1S/C18H13FN2O4S/c19-13-7-3-2-6-12(13)17(23)21-20-16(22)10-25-18(24)15-9-11-5-1-4-8-14(11)26-15/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyHMBMUKABLGEXET-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate 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] 1-benzothiophene-2-carboxylate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate (CID 7887272) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate is O=C(COC(=O)c1cc2ccccc2s1)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The InChIKey is HMBMUKABLGEXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4S/c19-13-7-3-2-6-12(13)17(23)21-20-16(22)10-25-18(24)15-9-11-5-1-4-8-14(11)26-15/h1-9H,10H2,(H,20,22)(H,21,23).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzothiophene-2-carboxylate is sourced from PubChem (CID 7887272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).