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

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Related Compounds

[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480
2-[2-(2,5-Dimethyl-phenyl)-2-oxo-ethyl]-2,3-dihydro-isoindol-1-one
CID 766181
1-[[3,4-Dihydro-4-oxo-3,3-dimethyl-7-(trifluoromethyl)naphthalen]-1-yl]pyridin-2(1H)-one
CID 14957725
Benzamide, N,N-diethyl-2,4-dimethyl-
CID 41198
Mesityl[4-(1-piperidinylcarbonyl)phenyl]methanone
CID 767034
1-(7-Acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957734
N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 16721146
N,N-dipropyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438403
N,N-diisobutyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438406
N-methyl-N-phenethyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438430
1,2-Dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-6-ethylnaphthalen-1-one
CID 14957732

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).