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

C17H15F2NO5 — CID 7846854

IUPAC[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-11-5-7-12(8-6-11)24-10-16(22)25-9-15(21)20-17-13(18)3-2-4-14(17)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyWQTOQDLWTVGRLL-UHFFFAOYSA-N
MW351.31 g/mol
LogP2.53
Rot. Bonds7

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

[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 7846854) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID7846854
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C17H15F2NO5/c1-23-11-5-7-12(8-6-11)24-10-16(22)25-9-15(21)20-17-13(18)3-2-4-14(17)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyWQTOQDLWTVGRLL-UHFFFAOYSA-N
XLogP2.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770488
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272263
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905852
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2466756
[2-(3-iodoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 23796368
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 7846854) is [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is WQTOQDLWTVGRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-23-11-5-7-12(8-6-11)24-10-16(22)25-9-15(21)20-17-13(18)3-2-4-14(17)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 351.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 7846854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).