2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C24H23F3N2O3 — CID 67026894

IUPAC2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O3/c1-23(2,3)19-8-4-5-9-20(19)31-22-16(7-6-14-28-22)15-21(30)29-17-10-12-18(13-11-17)32-24(25,26)27/h4-14H,15H2,1-3H3,(H,29,30)
InChIKeyGZSIIMNWGZJZBT-UHFFFAOYSA-N
MW444.45 g/mol
LogP6.25
Rot. Bonds6

About 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 67026894) has the molecular formula C24H23F3N2O3 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID67026894
Molecular FormulaC24H23F3N2O3
Molecular Weight444.45 g/mol
Exact Mass444.17
IUPAC Name2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O3/c1-23(2,3)19-8-4-5-9-20(19)31-22-16(7-6-14-28-22)15-21(30)29-17-10-12-18(13-11-17)32-24(25,26)27/h4-14H,15H2,1-3H3,(H,29,30)
InChIKeyGZSIIMNWGZJZBT-UHFFFAOYSA-N
XLogP6.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.45
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 67026894) is 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(C)(C)c1ccccc1Oc1ncccc1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GZSIIMNWGZJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3/c1-23(2,3)19-8-4-5-9-20(19)31-22-16(7-6-14-28-22)15-21(30)29-17-10-12-18(13-11-17)32-24(25,26)27/h4-14H,15H2,1-3H3,(H,29,30).
What are the key properties of 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 444.45 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butylphenoxy)-3-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 67026894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).