[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate

C17H13F4NO4 — CID 8915553

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F4NO4/c18-12-2-1-3-14(8-12)25-10-16(24)26-9-15(23)22-13-6-4-11(5-7-13)17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyRKZOCMCLHLZOGX-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.41
Rot. Bonds6

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate (PubChem CID 8915553) has the molecular formula C17H13F4NO4 and a molecular weight of 371.29 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
PubChem CID8915553
Molecular FormulaC17H13F4NO4
Molecular Weight371.29 g/mol
Exact Mass371.08
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(F)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F4NO4/c18-12-2-1-3-14(8-12)25-10-16(24)26-9-15(23)22-13-6-4-11(5-7-13)17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyRKZOCMCLHLZOGX-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-(4-iodoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 23855950
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915640
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915777
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915149
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853958

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate (CID 8915553) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate is O=C(COC(=O)COc1cccc(F)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate?
The InChIKey is RKZOCMCLHLZOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO4/c18-12-2-1-3-14(8-12)25-10-16(24)26-9-15(23)22-13-6-4-11(5-7-13)17(19,20)21/h1-8H,9-10H2,(H,22,23).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate has a molecular weight of 371.29 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-fluorophenoxy)acetate is sourced from PubChem (CID 8915553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).