[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

C17H14ClFN2O5S — CID 7583460

IUPAC[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H14ClFN2O5S/c18-14-7-6-13(27-14)12(22)5-8-16(24)26-9-15(23)20-21-17(25)10-3-1-2-4-11(10)19/h1-4,6-7H,5,8-9H2,(H,20,23)(H,21,25)
InChIKeyMYXFFKSNOOPGGO-UHFFFAOYSA-N
MW412.83 g/mol
LogP2.51
Rot. Bonds7

About [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate

[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (PubChem CID 7583460) has the molecular formula C17H14ClFN2O5S and a molecular weight of 412.83 g/mol. Its IUPAC name is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
PubChem CID7583460
Molecular FormulaC17H14ClFN2O5S
Molecular Weight412.83 g/mol
Exact Mass412.03
IUPAC Name[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H14ClFN2O5S/c18-14-7-6-13(27-14)12(22)5-8-16(24)26-9-15(23)20-21-17(25)10-3-1-2-4-11(10)19/h1-4,6-7H,5,8-9H2,(H,20,23)(H,21,25)
InChIKeyMYXFFKSNOOPGGO-UHFFFAOYSA-N
XLogP2.51
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 52.51
H-Bond Donors ≤ 52
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] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate 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] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The IUPAC name of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate (CID 7583460) is [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate.
What is the SMILES notation for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The canonical SMILES for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(Cl)s1)NNC(=O)c1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
The InChIKey is MYXFFKSNOOPGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O5S/c18-14-7-6-13(27-14)12(22)5-8-16(24)26-9-15(23)20-21-17(25)10-3-1-2-4-11(10)19/h1-4,6-7H,5,8-9H2,(H,20,23)(H,21,25).
What are the key properties of [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate?
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate has a molecular weight of 412.83 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate is sourced from PubChem (CID 7583460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).