[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate

C17H14F3NO4 — CID 7485742

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO4/c1-24-14-5-3-2-4-13(14)16(23)25-10-15(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)
InChIKeyQYZLITAENNSIMR-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.51
Rot. Bonds5

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate (PubChem CID 7485742) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
PubChem CID7485742
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO4/c1-24-14-5-3-2-4-13(14)16(23)25-10-15(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)
InChIKeyQYZLITAENNSIMR-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2406143
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014292
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
CID 2344876
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013526
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2432236
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715032
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-methoxybenzoate
CID 46790416
[2-(4-nitroanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 5080642
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate (CID 7485742) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate?
The InChIKey is QYZLITAENNSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-24-14-5-3-2-4-13(14)16(23)25-10-15(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate has a molecular weight of 353.30 g/mol, XLogP of 3.51, 5 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-methoxybenzoate is sourced from PubChem (CID 7485742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).