[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate

C18H16F3NO4 — CID 7364756

IUPAC[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO4/c1-2-12-3-5-13(6-4-12)17(24)25-11-16(23)22-14-7-9-15(10-8-14)26-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,23)
InChIKeyJMGPSMQULWAYJE-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.94
Rot. Bonds6

About [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate (PubChem CID 7364756) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
PubChem CID7364756
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO4/c1-2-12-3-5-13(6-4-12)17(24)25-11-16(23)22-14-7-9-15(10-8-14)26-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,23)
InChIKeyJMGPSMQULWAYJE-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-ethylphenoxy)acetate
CID 7844920
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3,5-dimethylbenzoate
CID 8012367
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796481
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796392
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-pyrrol-1-ylbenzoate
CID 40690715
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-methylbenzoate
CID 2563049
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010507
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1,3-benzodioxole-5-carboxylate
CID 2356453
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-methyl-4-nitrobenzoate
CID 8013523

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate (CID 7364756) is [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate?
The InChIKey is JMGPSMQULWAYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-2-12-3-5-13(6-4-12)17(24)25-11-16(23)22-14-7-9-15(10-8-14)26-18(19,20)21/h3-10H,2,11H2,1H3,(H,22,23).
What are the key properties of [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate?
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate has a molecular weight of 367.32 g/mol, XLogP of 3.94, 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-(trifluoromethoxy)anilino]ethyl] 4-ethylbenzoate is sourced from PubChem (CID 7364756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).