1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C18H15F3N2O2 — CID 47020755

IUPAC1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCc1cccc2c(C(=O)Cn3cccc(C(F)(F)F)c3=O)c[nH]c12
InChIInChI=1S/C18H15F3N2O2/c1-2-11-5-3-6-12-13(9-22-16(11)12)15(24)10-23-8-4-7-14(17(23)25)18(19,20)21/h3-9,22H,2,10H2,1H3
InChIKeyVWNOKHGHNJOGGY-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.79
Rot. Bonds4

About 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 47020755) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID47020755
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCc1cccc2c(C(=O)Cn3cccc(C(F)(F)F)c3=O)c[nH]c12
InChIInChI=1S/C18H15F3N2O2/c1-2-11-5-3-6-12-13(9-22-16(11)12)15(24)10-23-8-4-7-14(17(23)25)18(19,20)21/h3-9,22H,2,10H2,1H3
InChIKeyVWNOKHGHNJOGGY-UHFFFAOYSA-N
XLogP3.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 47020755) is 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is CCc1cccc2c(C(=O)Cn3cccc(C(F)(F)F)c3=O)c[nH]c12.
What is the InChIKey of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is VWNOKHGHNJOGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-2-11-5-3-6-12-13(9-22-16(11)12)15(24)10-23-8-4-7-14(17(23)25)18(19,20)21/h3-9,22H,2,10H2,1H3.
What are the key properties of 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 348.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 47020755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).