[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate

C19H12F3NO5 — CID 2590919

IUPAC[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3NO5/c20-19(21,22)12-6-2-3-7-13(12)23-17(25)10-27-18(26)16-9-14(24)11-5-1-4-8-15(11)28-16/h1-9H,10H2,(H,23,25)
InChIKeyFQMAETKCZPFUAH-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.61
Rot. Bonds4

About [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate (PubChem CID 2590919) has the molecular formula C19H12F3NO5 and a molecular weight of 391.30 g/mol. Its IUPAC name is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate
PubChem CID2590919
Molecular FormulaC19H12F3NO5
Molecular Weight391.30 g/mol
Exact Mass391.07
IUPAC Name[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H12F3NO5/c20-19(21,22)12-6-2-3-7-13(12)23-17(25)10-27-18(26)16-9-14(24)11-5-1-4-8-15(11)28-16/h1-9H,10H2,(H,23,25)
InChIKeyFQMAETKCZPFUAH-UHFFFAOYSA-N
XLogP3.61
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxochromene-2-carboxylate
CID 2645963
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-oxochromene-2-carboxylate
CID 7968561
[2-(4-fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2432321
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080377
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2379895
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 4148887
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2435637
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(trifluoromethyl)benzoate
CID 7860144
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 3913150

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate (CID 2590919) is [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate?
The InChIKey is FQMAETKCZPFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO5/c20-19(21,22)12-6-2-3-7-13(12)23-17(25)10-27-18(26)16-9-14(24)11-5-1-4-8-15(11)28-16/h1-9H,10H2,(H,23,25).
What are the key properties of [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate?
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate has a molecular weight of 391.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2590919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).