ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate

C11H10ClFN2O4 — CID 169187907

IUPACethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O4/c1-2-19-11(18)10(17)15-14-9(16)6-3-4-8(13)7(12)5-6/h3-5H,2H2,1H3,(H,14,16)(H,15,17)
InChIKeyOLLVBYUUJVCSMY-UHFFFAOYSA-N
MW288.66 g/mol
LogP0.80
Rot. Bonds2

About ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate

ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate (PubChem CID 169187907) has the molecular formula C11H10ClFN2O4 and a molecular weight of 288.66 g/mol. Its IUPAC name is ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate
PubChem CID169187907
Molecular FormulaC11H10ClFN2O4
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Nameethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)NNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2O4/c1-2-19-11(18)10(17)15-14-9(16)6-3-4-8(13)7(12)5-6/h3-5H,2H2,1H3,(H,14,16)(H,15,17)
InChIKeyOLLVBYUUJVCSMY-UHFFFAOYSA-N
XLogP0.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate (CID 169187907) is ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)NNC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate?
The InChIKey is OLLVBYUUJVCSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O4/c1-2-19-11(18)10(17)15-14-9(16)6-3-4-8(13)7(12)5-6/h3-5H,2H2,1H3,(H,14,16)(H,15,17).
What are the key properties of ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate?
ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate has a molecular weight of 288.66 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 169187907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).