[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate

C20H20F3NO4 — CID 7796481

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO4/c1-3-13-6-5-7-14(4-2)18(13)24-17(25)12-27-19(26)15-8-10-16(11-9-15)28-20(21,22)23/h5-11H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyDUKQXXRFMRDLDL-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.51
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate

[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate (PubChem CID 7796481) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
PubChem CID7796481
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO4/c1-3-13-6-5-7-14(4-2)18(13)24-17(25)12-27-19(26)15-8-10-16(11-9-15)28-20(21,22)23/h5-11H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyDUKQXXRFMRDLDL-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
CID 7364756
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(trifluoromethoxy)benzoate
CID 7796496
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
CID 7984493
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753193
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744451
[2-(2-bromoanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2399946
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2636706
[2-(2,6-diethylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 40991554
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-methylbenzoate
CID 2563049
[2-(2,6-diethylanilino)-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 4139968

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate (CID 7796481) is [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate is CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
The InChIKey is DUKQXXRFMRDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-3-13-6-5-7-14(4-2)18(13)24-17(25)12-27-19(26)15-8-10-16(11-9-15)28-20(21,22)23/h5-11H,3-4,12H2,1-2H3,(H,24,25).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate?
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate has a molecular weight of 395.38 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 7796481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).