[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate

C21H15F2NO4 — CID 7951628

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H15F2NO4/c22-14-6-11-18(19(23)12-14)21(26)27-13-20(25)24-15-7-9-17(10-8-15)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,25)
InChIKeyRSOPTSDJOIOVNZ-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.55
Rot. Bonds6

About [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate

[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate (PubChem CID 7951628) has the molecular formula C21H15F2NO4 and a molecular weight of 383.35 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
PubChem CID7951628
Molecular FormulaC21H15F2NO4
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H15F2NO4/c22-14-6-11-18(19(23)12-14)21(26)27-13-20(25)24-15-7-9-17(10-8-15)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,25)
InChIKeyRSOPTSDJOIOVNZ-UHFFFAOYSA-N
XLogP4.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555000
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7604295
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498559
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2349892
[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555034
[2-(4-ethylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887494
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-(4-fluoroanilino)-2-oxoethyl] 4-cyano-2-fluorobenzoate
CID 126208095
[2-(4-methoxyanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925007
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate (CID 7951628) is [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate is O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate?
The InChIKey is RSOPTSDJOIOVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO4/c22-14-6-11-18(19(23)12-14)21(26)27-13-20(25)24-15-7-9-17(10-8-15)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,25).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate has a molecular weight of 383.35 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 7951628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).