[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate

C20H20F3NO4 — CID 8526775

IUPAC[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO4/c1-13(2)16-8-3-4-9-17(16)27-12-19(26)28-11-18(25)24-15-7-5-6-14(10-15)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyVXPDBVHSZHXDBS-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.39
Rot. Bonds7

About [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 8526775) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
PubChem CID8526775
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO4/c1-13(2)16-8-3-4-9-17(16)27-12-19(26)28-11-18(25)24-15-7-5-6-14(10-15)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyVXPDBVHSZHXDBS-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496
2-[2-propan-2-yl-5-(trifluoromethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21204509
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903840
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770386
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132821
[2-(3-chloroanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839443
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate (CID 8526775) is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is VXPDBVHSZHXDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-13(2)16-8-3-4-9-17(16)27-12-19(26)28-11-18(25)24-15-7-5-6-14(10-15)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25).
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate?
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 395.38 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8526775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).