[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate

C21H15F2NO4 — CID 2498559

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H15F2NO4/c22-14-10-11-18(17(23)12-14)24-20(25)13-27-21(26)16-8-4-5-9-19(16)28-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25)
InChIKeyFTUAYUKTACETAI-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.55
Rot. Bonds6

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2498559) has the molecular formula C21H15F2NO4 and a molecular weight of 383.35 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2498559
Molecular FormulaC21H15F2NO4
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H15F2NO4/c22-14-10-11-18(17(23)12-14)24-20(25)13-27-21(26)16-8-4-5-9-19(16)28-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25)
InChIKeyFTUAYUKTACETAI-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-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2454502
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
CID 7951628
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855189
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4853195
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate
CID 35988585
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498230
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2365859
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864568

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate (CID 2498559) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate is O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is FTUAYUKTACETAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO4/c22-14-10-11-18(17(23)12-14)24-20(25)13-27-21(26)16-8-4-5-9-19(16)28-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate 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-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2498559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).