[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C16H12F3NO4 — CID 7791318

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(F)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F3NO4/c17-10-1-4-12(5-2-10)23-9-16(22)24-8-15(21)20-14-7-11(18)3-6-13(14)19/h1-7H,8-9H2,(H,20,21)
InChIKeyYJTVRTSQRWLDMJ-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.66
Rot. Bonds6

About [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791318) has the molecular formula C16H12F3NO4 and a molecular weight of 339.27 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791318
Molecular FormulaC16H12F3NO4
Molecular Weight339.27 g/mol
Exact Mass339.07
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(F)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F3NO4/c17-10-1-4-12(5-2-10)23-9-16(22)24-8-15(21)20-14-7-11(18)3-6-13(14)19/h1-7H,8-9H2,(H,20,21)
InChIKeyYJTVRTSQRWLDMJ-UHFFFAOYSA-N
XLogP2.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273684
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140459
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133057
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791322
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791752
N-(2-amino-5-fluorophenyl)-2-(4-fluorophenoxy)acetamide
CID 43611984
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23992871
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791318) is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is O=C(COC(=O)COc1ccc(F)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is YJTVRTSQRWLDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4/c17-10-1-4-12(5-2-10)23-9-16(22)24-8-15(21)20-14-7-11(18)3-6-13(14)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 339.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).