[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate

C22H17F3N2O4 — CID 55556432

IUPAC[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate
SMILESCOc1ncccc1C(=O)OC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H17F3N2O4/c1-30-20-17(11-6-12-26-20)21(29)31-18(14-7-3-2-4-8-14)19(28)27-16-10-5-9-15(13-16)22(23,24)25/h2-13,18H,1H3,(H,27,28)
InChIKeyWUOMOOMACWKCDA-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.65
Rot. Bonds6

About [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate

[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate (PubChem CID 55556432) has the molecular formula C22H17F3N2O4 and a molecular weight of 430.38 g/mol. Its IUPAC name is [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate
PubChem CID55556432
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC Name[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate
SMILESCOc1ncccc1C(=O)OC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C22H17F3N2O4/c1-30-20-17(11-6-12-26-20)21(29)31-18(14-7-3-2-4-8-14)19(28)27-16-10-5-9-15(13-16)22(23,24)25/h2-13,18H,1H3,(H,27,28)
InChIKeyWUOMOOMACWKCDA-UHFFFAOYSA-N
XLogP4.65
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 4-chlorobenzoate
CID 2360642
[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate
CID 2396231
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 2367425
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate
CID 7953763
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclopropanecarboxylate
CID 7863853
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2,2-dimethylpropanoylamino)propanoate
CID 24631108
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] cyclohexanecarboxylate
CID 4168101
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-(trifluoromethyl)benzoate
CID 2427062
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-ethoxypyridine-3-carboxylate
CID 4004793
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68533846

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate (CID 55556432) is [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate is COc1ncccc1C(=O)OC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate?
The InChIKey is WUOMOOMACWKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c1-30-20-17(11-6-12-26-20)21(29)31-18(14-7-3-2-4-8-14)19(28)27-16-10-5-9-15(13-16)22(23,24)25/h2-13,18H,1H3,(H,27,28).
What are the key properties of [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate?
[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate has a molecular weight of 430.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 55556432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).