[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate

C21H21F3N2O4 — CID 18204731

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
SMILESCC1CN(C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C21H21F3N2O4/c1-14-12-26(9-10-29-14)19(27)13-30-20(28)17-7-2-3-8-18(17)25-16-6-4-5-15(11-16)21(22,23)24/h2-8,11,14,25H,9-10,12-13H2,1H3
InChIKeyNXAVXZVWYDIAFK-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.85
Rot. Bonds5

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate (PubChem CID 18204731) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
PubChem CID18204731
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
SMILESCC1CN(C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C21H21F3N2O4/c1-14-12-26(9-10-29-14)19(27)13-30-20(28)17-7-2-3-8-18(17)25-16-6-4-5-15(11-16)21(22,23)24/h2-8,11,14,25H,9-10,12-13H2,1H3
InChIKeyNXAVXZVWYDIAFK-UHFFFAOYSA-N
XLogP3.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate with MolForge

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 2-[3-(trifluoromethyl)anilino]benzoate
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CID 16619639
[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
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[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 6601288
N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 46675286
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996
[2-(3-chlorophenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2382911
[3-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone
CID 119595883
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate (CID 18204731) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate is CC1CN(C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
The InChIKey is NXAVXZVWYDIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c1-14-12-26(9-10-29-14)19(27)13-30-20(28)17-7-2-3-8-18(17)25-16-6-4-5-15(11-16)21(22,23)24/h2-8,11,14,25H,9-10,12-13H2,1H3.
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate has a molecular weight of 422.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate is sourced from PubChem (CID 18204731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).