[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate

C16H12F2N2O6 — CID 2626465

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F2N2O6/c17-10-5-6-11(18)12(7-10)19-15(21)8-26-16(22)9-25-14-4-2-1-3-13(14)20(23)24/h1-7H,8-9H2,(H,19,21)
InChIKeyPOYLIIIRFDIFDR-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.43
Rot. Bonds7

About [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate (PubChem CID 2626465) has the molecular formula C16H12F2N2O6 and a molecular weight of 366.28 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
PubChem CID2626465
Molecular FormulaC16H12F2N2O6
Molecular Weight366.28 g/mol
Exact Mass366.07
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F2N2O6/c17-10-5-6-11(18)12(7-10)19-15(21)8-26-16(22)9-25-14-4-2-1-3-13(14)20(23)24/h1-7H,8-9H2,(H,19,21)
InChIKeyPOYLIIIRFDIFDR-UHFFFAOYSA-N
XLogP2.43
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869
[2-(2-methylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626764
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626827
[2-oxo-2-(2-phenylanilino)ethyl] 2-(2-nitrophenoxy)acetate
CID 7788820
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842445
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
[2-[2-[[2-[2-(2-nitrophenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 16540047
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791318
[2-(2-nitroanilino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 5226542
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140459

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate (CID 2626465) is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate is O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
The InChIKey is POYLIIIRFDIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O6/c17-10-5-6-11(18)12(7-10)19-15(21)8-26-16(22)9-25-14-4-2-1-3-13(14)20(23)24/h1-7H,8-9H2,(H,19,21).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate has a molecular weight of 366.28 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate is sourced from PubChem (CID 2626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).