[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate

C20H18F3NO5 — CID 7838156

IUPAC[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO5/c1-12(2)29-18(26)13-7-9-14(10-8-13)24-17(25)11-28-19(27)15-5-3-4-6-16(15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyUDWCVFIWMOPONP-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.07
Rot. Bonds6

About [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate (PubChem CID 7838156) has the molecular formula C20H18F3NO5 and a molecular weight of 409.36 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate
PubChem CID7838156
Molecular FormulaC20H18F3NO5
Molecular Weight409.36 g/mol
Exact Mass409.11
IUPAC Name[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO5/c1-12(2)29-18(26)13-7-9-14(10-8-13)24-17(25)11-28-19(27)15-5-3-4-6-16(15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyUDWCVFIWMOPONP-UHFFFAOYSA-N
XLogP4.07
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833853
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 7820383
propan-2-yl 4-[[2-(4-nitrobenzoyl)oxyacetyl]amino]benzoate
CID 7859404
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-(carbamoylamino)benzoate
CID 2527951
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2503502
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2432236
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838129
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
[2-(3-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2503635
propan-2-yl 4-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]benzoate
CID 8019758
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658348

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate?
The IUPAC name of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate (CID 7838156) is [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate?
The canonical SMILES for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate is CC(C)OC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate?
The InChIKey is UDWCVFIWMOPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO5/c1-12(2)29-18(26)13-7-9-14(10-8-13)24-17(25)11-28-19(27)15-5-3-4-6-16(15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate?
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate has a molecular weight of 409.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 7838156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).