[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C17H14ClFN2O4 — CID 2429985

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14ClFN2O4/c18-13-7-4-8-14(19)12(13)9-16(23)25-10-15(22)20-21-17(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,22)(H,21,24)
InChIKeyCUCFQICEHUBXGF-UHFFFAOYSA-N
MW364.76 g/mol
LogP2.03
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2429985) has the molecular formula C17H14ClFN2O4 and a molecular weight of 364.76 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2429985
Molecular FormulaC17H14ClFN2O4
Molecular Weight364.76 g/mol
Exact Mass364.06
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C17H14ClFN2O4/c18-13-7-4-8-14(19)12(13)9-16(23)25-10-15(22)20-21-17(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,22)(H,21,24)
InChIKeyCUCFQICEHUBXGF-UHFFFAOYSA-N
XLogP2.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 52.03
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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Related Compounds

[2-[2-(2-Chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 8151607
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
CID 2416248
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-fluorobenzoate
CID 2640551
[2-[2-(4-Chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796275
(2-Benzamido-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
CID 16523062
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587286
[2-[2-(4-Chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 16288877
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-fluorobenzoate
CID 2409376
[2-[2-(2-Fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,2-diphenylacetate
CID 8151876
Ethyl 2-[2-(4-chloro-3-fluorobenzoyl)hydrazinyl]-2-oxoacetate
CID 169102867
Ethyl 2-[2-(3-chloro-4-fluorobenzoyl)hydrazinyl]-2-oxoacetate
CID 169187907
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2086179

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2429985) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is CUCFQICEHUBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O4/c18-13-7-4-8-14(19)12(13)9-16(23)25-10-15(22)20-21-17(24)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,22)(H,21,24).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 364.76 g/mol, XLogP of 2.03, 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-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2429985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).