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

C22H17F2NO4 — CID 9140459

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(-c2ccccc2)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C22H17F2NO4/c23-17-8-11-19(24)20(12-17)25-21(26)13-29-22(27)14-28-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26)
InChIKeyHYHPRZJHBKZIMP-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.19
Rot. Bonds7

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

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate (PubChem CID 9140459) has the molecular formula C22H17F2NO4 and a molecular weight of 397.38 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
PubChem CID9140459
Molecular FormulaC22H17F2NO4
Molecular Weight397.38 g/mol
Exact Mass397.11
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(-c2ccccc2)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C22H17F2NO4/c23-17-8-11-19(24)20(12-17)25-21(26)13-29-22(27)14-28-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26)
InChIKeyHYHPRZJHBKZIMP-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
[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-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919380
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23992871
[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-fluorophenyl)sulfanylacetate
CID 7676134
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133057

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate (CID 9140459) is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate is O=C(COC(=O)COc1ccc(-c2ccccc2)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
The InChIKey is HYHPRZJHBKZIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO4/c23-17-8-11-19(24)20(12-17)25-21(26)13-29-22(27)14-28-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,26).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate has a molecular weight of 397.38 g/mol, XLogP of 4.19, 7 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-phenylphenoxy)acetate is sourced from PubChem (CID 9140459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).