[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate

C15H9F4NO3 — CID 2555034

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1c(F)cccc1F
InChIInChI=1S/C15H9F4NO3/c16-8-4-5-9(12(19)6-8)15(22)23-7-13(21)20-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
InChIKeyKEDFHVGYEDVDIZ-UHFFFAOYSA-N
MW327.23 g/mol
LogP3.04
Rot. Bonds4

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

[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate (PubChem CID 2555034) has the molecular formula C15H9F4NO3 and a molecular weight of 327.23 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
PubChem CID2555034
Molecular FormulaC15H9F4NO3
Molecular Weight327.23 g/mol
Exact Mass327.05
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1c(F)cccc1F
InChIInChI=1S/C15H9F4NO3/c16-8-4-5-9(12(19)6-8)15(22)23-7-13(21)20-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
InChIKeyKEDFHVGYEDVDIZ-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2382796
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(4-methylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555000
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2349892
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 7763930
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
CID 7951628
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628769
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7604295

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate (CID 2555034) is [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate is O=C(COC(=O)c1ccc(F)cc1F)Nc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate?
The InChIKey is KEDFHVGYEDVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO3/c16-8-4-5-9(12(19)6-8)15(22)23-7-13(21)20-14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate has a molecular weight of 327.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 2555034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).