[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate

C16H12F2N2O6 — CID 7770488

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O6/c17-12-2-1-3-13(18)16(12)19-14(21)8-26-15(22)9-25-11-6-4-10(5-7-11)20(23)24/h1-7H,8-9H2,(H,19,21)
InChIKeyWHGHIEGHMXYOGH-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.43
Rot. Bonds7

About [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate

[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate (PubChem CID 7770488) has the molecular formula C16H12F2N2O6 and a molecular weight of 366.28 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
PubChem CID7770488
Molecular FormulaC16H12F2N2O6
Molecular Weight366.28 g/mol
Exact Mass366.07
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O6/c17-12-2-1-3-13(18)16(12)19-14(21)8-26-15(22)9-25-11-6-4-10(5-7-11)20(23)24/h1-7H,8-9H2,(H,19,21)
InChIKeyWHGHIEGHMXYOGH-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'}

Analyze [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846854
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2601605
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770548
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770386
[2-(2-bromoanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770703
[2-(4-nitroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140711
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583307
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990272
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770418
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 16512082
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528096

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate (CID 7770488) is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate is O=C(COC(=O)COc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate?
The InChIKey is WHGHIEGHMXYOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O6/c17-12-2-1-3-13(18)16(12)19-14(21)8-26-15(22)9-25-11-6-4-10(5-7-11)20(23)24/h1-7H,8-9H2,(H,19,21).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-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-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate is sourced from PubChem (CID 7770488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).