2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide

C17H14F6N2O3 — CID 112830943

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide
SMILESCCOc1ncccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H14F6N2O3/c1-2-27-15-13(4-3-5-24-15)25-14(26)9-28-12-7-10(16(18,19)20)6-11(8-12)17(21,22)23/h3-8H,2,9H2,1H3,(H,25,26)
InChIKeyJFZQJLGWYVNLEB-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.54
Rot. Bonds6

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide (PubChem CID 112830943) has the molecular formula C17H14F6N2O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide
PubChem CID112830943
Molecular FormulaC17H14F6N2O3
Molecular Weight408.30 g/mol
Exact Mass408.09
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide
SMILESCCOc1ncccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H14F6N2O3/c1-2-27-15-13(4-3-5-24-15)25-14(26)9-28-12-7-10(16(18,19)20)6-11(8-12)17(21,22)23/h3-8H,2,9H2,1H3,(H,25,26)
InChIKeyJFZQJLGWYVNLEB-UHFFFAOYSA-N
XLogP4.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-cyanophenyl)acetamide
CID 7796207
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 34877130
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
CID 112845789
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
2-(cyclopropylamino)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 54923945
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 78889476
2-[2-(aminomethyl)phenyl]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 81311348
4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 112836068
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119439280

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide (CID 112830943) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide is CCOc1ncccc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide?
The InChIKey is JFZQJLGWYVNLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3/c1-2-27-15-13(4-3-5-24-15)25-14(26)9-28-12-7-10(16(18,19)20)6-11(8-12)17(21,22)23/h3-8H,2,9H2,1H3,(H,25,26).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide has a molecular weight of 408.30 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-ethoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 112830943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).