2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide

C18H19F3N2O2 — CID 68843224

IUPAC2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(COc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H19F3N2O2/c1-17(2,3)16(24)23-15-6-4-5-13(22-15)11-25-14-9-7-12(8-10-14)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,23,24)
InChIKeyXRVIZZFASFFPAG-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.66
Rot. Bonds4

About 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide

2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide (PubChem CID 68843224) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide
PubChem CID68843224
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(COc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H19F3N2O2/c1-17(2,3)16(24)23-15-6-4-5-13(22-15)11-25-14-9-7-12(8-10-14)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,23,24)
InChIKeyXRVIZZFASFFPAG-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide (CID 68843224) is 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cccc(COc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide?
The InChIKey is XRVIZZFASFFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-17(2,3)16(24)23-15-6-4-5-13(22-15)11-25-14-9-7-12(8-10-14)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,23,24).
What are the key properties of 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide?
2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide has a molecular weight of 352.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 68843224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).