[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate

C16H13F2NO4 — CID 2506722

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO4/c17-11-6-7-13(18)14(8-11)19-15(20)9-23-16(21)10-22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)
InChIKeyVKTVNBBPSVWGRH-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.53
Rot. Bonds6

About [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2506722) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
PubChem CID2506722
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO4/c17-11-6-7-13(18)14(8-11)19-15(20)9-23-16(21)10-22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)
InChIKeyVKTVNBBPSVWGRH-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140459
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791318
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273684
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23992871

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate (CID 2506722) is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is VKTVNBBPSVWGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c17-11-6-7-13(18)14(8-11)19-15(20)9-23-16(21)10-22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 321.28 g/mol, XLogP of 2.53, 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-phenoxyacetate is sourced from PubChem (CID 2506722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).