2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide

C18H19F3N2O2 — CID 169075439

IUPAC2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O2/c1-17(2,3)12-4-6-14(7-5-12)25-11-16(24)23-13-8-9-22-15(10-13)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,23,24)
InChIKeyTVFSQUZDCOLOQR-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide

2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide (PubChem CID 169075439) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
PubChem CID169075439
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O2/c1-17(2,3)12-4-6-14(7-5-12)25-11-16(24)23-13-8-9-22-15(10-13)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,23,24)
InChIKeyTVFSQUZDCOLOQR-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 110442677
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid
CID 119351840
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467642
5-[[2-(4-tert-butylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7317544
N-[3-(phenylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55524065
N-(2-tert-butyl-4-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 110443287
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide (CID 169075439) is 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccnc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
The InChIKey is TVFSQUZDCOLOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-17(2,3)12-4-6-14(7-5-12)25-11-16(24)23-13-8-9-22-15(10-13)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide?
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide has a molecular weight of 352.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide is sourced from PubChem (CID 169075439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).