(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate

C17H14F3NO4 — CID 16619639

IUPAC(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
SMILESCOC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO4/c1-24-15(22)10-25-16(23)13-7-2-3-8-14(13)21-12-6-4-5-11(9-12)17(18,19)20/h2-9,21H,10H2,1H3
InChIKeyOWVUHZXIZQKBSL-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.78
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate

(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate (PubChem CID 16619639) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
PubChem CID16619639
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
SMILESCOC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO4/c1-24-15(22)10-25-16(23)13-7-2-3-8-14(13)21-12-6-4-5-11(9-12)17(18,19)20/h2-9,21H,10H2,1H3
InChIKeyOWVUHZXIZQKBSL-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate 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-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 8789976
2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
(2-oxo-2-piperidin-1-ylethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 4842956
[2-(3-chlorophenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2382911
(2-methoxyphenyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 11596190
2-(2-octadecanoyloxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 125292928
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 6601288
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 18204731
ethyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propanoyl]amino]benzoate
CID 108956085
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate (CID 16619639) is (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate is COC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate?
The InChIKey is OWVUHZXIZQKBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-24-15(22)10-25-16(23)13-7-2-3-8-14(13)21-12-6-4-5-11(9-12)17(18,19)20/h2-9,21H,10H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate?
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate has a molecular weight of 353.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate is sourced from PubChem (CID 16619639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).