[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate

C17H14ClFN2O5 — CID 8612122

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2O5/c18-12-4-6-14(7-5-12)25-9-15(22)20-21-16(23)10-26-17(24)11-2-1-3-13(19)8-11/h1-8H,9-10H2,(H,20,22)(H,21,23)
InChIKeyAIVBUPKWXKCFRR-UHFFFAOYSA-N
MW380.76 g/mol
LogP1.86
Rot. Bonds6

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 8612122) has the molecular formula C17H14ClFN2O5 and a molecular weight of 380.76 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
PubChem CID8612122
Molecular FormulaC17H14ClFN2O5
Molecular Weight380.76 g/mol
Exact Mass380.06
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2O5/c18-12-4-6-14(7-5-12)25-9-15(22)20-21-16(23)10-26-17(24)11-2-1-3-13(19)8-11/h1-8H,9-10H2,(H,20,22)(H,21,23)
InChIKeyAIVBUPKWXKCFRR-UHFFFAOYSA-N
XLogP1.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.76
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887713
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 8612548
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198596
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198561
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859628
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290573

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate (CID 8612122) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate is O=C(COC(=O)c1cccc(F)c1)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is AIVBUPKWXKCFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O5/c18-12-4-6-14(7-5-12)25-9-15(22)20-21-16(23)10-26-17(24)11-2-1-3-13(19)8-11/h1-8H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 380.76 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 8612122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).