2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

C16H9F9N2O3 — CID 78889476

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C16H9F9N2O3/c17-14(18,19)7-1-8(15(20,21)22)3-10(2-7)30-6-12(28)27-11-4-9(16(23,24)25)5-26-13(11)29/h1-5H,6H2,(H,26,29)(H,27,28)
InChIKeyMLJADLLWRLPARJ-UHFFFAOYSA-N
MW448.24 g/mol
LogP4.45
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 78889476) has the molecular formula C16H9F9N2O3 and a molecular weight of 448.24 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID78889476
Molecular FormulaC16H9F9N2O3
Molecular Weight448.24 g/mol
Exact Mass448.05
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C16H9F9N2O3/c17-14(18,19)7-1-8(15(20,21)22)3-10(2-7)30-6-12(28)27-11-4-9(16(23,24)25)5-26-13(11)29/h1-5H,6H2,(H,26,29)(H,27,28)
InChIKeyMLJADLLWRLPARJ-UHFFFAOYSA-N
XLogP4.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.24
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 119399137
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
CID 7796207
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropanecarboxamide
CID 47137245
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(trifluoromethoxy)benzamide
CID 55488373
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 94195543
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 112830943
1,1-bis(2-methoxyethyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47492145
4-methoxy-N-[4-oxo-4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]butyl]benzamide
CID 55794854
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 4839539

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 78889476) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is MLJADLLWRLPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F9N2O3/c17-14(18,19)7-1-8(15(20,21)22)3-10(2-7)30-6-12(28)27-11-4-9(16(23,24)25)5-26-13(11)29/h1-5H,6H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 448.24 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 78889476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).