1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one

C17H16F3NO2 — CID 7802597

IUPAC1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C)c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C
InChIInChI=1S/C17H16F3NO2/c1-10-6-12(3)14(7-11(10)2)15(22)9-21-8-13(17(18,19)20)4-5-16(21)23/h4-8H,9H2,1-3H3
InChIKeyZZZZJOSURXTPPI-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.68
Rot. Bonds3

About 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 7802597) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID7802597
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C)c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C
InChIInChI=1S/C17H16F3NO2/c1-10-6-12(3)14(7-11(10)2)15(22)9-21-8-13(17(18,19)20)4-5-16(21)23/h4-8H,9H2,1-3H3
InChIKeyZZZZJOSURXTPPI-UHFFFAOYSA-N
XLogP3.68
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 7802597) is 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one is Cc1cc(C)c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1C.
What is the InChIKey of 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZZZZJOSURXTPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-10-6-12(3)14(7-11(10)2)15(22)9-21-8-13(17(18,19)20)4-5-16(21)23/h4-8H,9H2,1-3H3.
What are the key properties of 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 323.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 7802597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).