[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate

C19H18F3NO3 — CID 7506590

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO3/c1-12(2)15-8-3-4-9-16(15)23-17(24)11-26-18(25)13-6-5-7-14(10-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyGOQQAKTXBWQDEK-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.62
Rot. Bonds5

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate (PubChem CID 7506590) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate
PubChem CID7506590
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO3/c1-12(2)15-8-3-4-9-16(15)23-17(24)11-26-18(25)13-6-5-7-14(10-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyGOQQAKTXBWQDEK-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(trifluoromethyl)benzoate
CID 7860144
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-pyrrol-1-ylbenzoate
CID 40689647
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838504
[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
CID 1088668
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973955
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 55320047
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838877
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-amino-3-nitrobenzoate
CID 3255017

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate (CID 7506590) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate is CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate?
The InChIKey is GOQQAKTXBWQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-12(2)15-8-3-4-9-16(15)23-17(24)11-26-18(25)13-6-5-7-14(10-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate has a molecular weight of 365.35 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 7506590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).