[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C17H14FN3O7 — CID 7842173

IUPAC[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14FN3O7/c18-13-3-1-2-4-14(13)27-10-16(23)28-9-15(22)19-20-17(24)11-5-7-12(8-6-11)21(25)26/h1-8H,9-10H2,(H,19,22)(H,20,24)
InChIKeyIJDYTUXGQAZEAF-UHFFFAOYSA-N
MW391.31 g/mol
LogP1.12
Rot. Bonds7

About [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842173) has the molecular formula C17H14FN3O7 and a molecular weight of 391.31 g/mol. Its IUPAC name is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID7842173
Molecular FormulaC17H14FN3O7
Molecular Weight391.31 g/mol
Exact Mass391.08
IUPAC Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14FN3O7/c18-13-3-1-2-4-14(13)27-10-16(23)28-9-15(22)19-20-17(24)11-5-7-12(8-6-11)21(25)26/h1-8H,9-10H2,(H,19,22)(H,20,24)
InChIKeyIJDYTUXGQAZEAF-UHFFFAOYSA-N
XLogP1.12
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903726
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23790997
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227757
4-fluoro-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 7946066
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770488
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 7842173) is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is O=C(COC(=O)COc1ccccc1F)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is IJDYTUXGQAZEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O7/c18-13-3-1-2-4-14(13)27-10-16(23)28-9-15(22)19-20-17(24)11-5-7-12(8-6-11)21(25)26/h1-8H,9-10H2,(H,19,22)(H,20,24).
What are the key properties of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 391.31 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).