[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate

C16H11Cl3FNO3 — CID 7796348

IUPAC[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3FNO3/c17-10-6-12(19)14(7-11(10)18)21-15(22)8-24-16(23)5-9-3-1-2-4-13(9)20/h1-4,6-7H,5,8H2,(H,21,22)
InChIKeyALBPHUWIGTVLQJ-UHFFFAOYSA-N
MW390.63 g/mol
LogP4.51
Rot. Bonds5

About [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate

[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate (PubChem CID 7796348) has the molecular formula C16H11Cl3FNO3 and a molecular weight of 390.63 g/mol. Its IUPAC name is [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
PubChem CID7796348
Molecular FormulaC16H11Cl3FNO3
Molecular Weight390.63 g/mol
Exact Mass388.98
IUPAC Name[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1F)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3FNO3/c17-10-6-12(19)14(7-11(10)18)21-15(22)8-24-16(23)5-9-3-1-2-4-13(9)20/h1-4,6-7H,5,8H2,(H,21,22)
InChIKeyALBPHUWIGTVLQJ-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 71822890
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 7796359
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 35564457
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633503
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661329

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate (CID 7796348) is [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate is O=C(COC(=O)Cc1ccccc1F)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is ALBPHUWIGTVLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3FNO3/c17-10-6-12(19)14(7-11(10)18)21-15(22)8-24-16(23)5-9-3-1-2-4-13(9)20/h1-4,6-7H,5,8H2,(H,21,22).
What are the key properties of [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate?
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 390.63 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 7796348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).