1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one

C20H16F3NO2 — CID 162540160

IUPAC1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
SMILESO=c1ccc(COc2cccc(C(F)(F)F)c2)cn1Cc1ccccc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-7-4-8-18(11-17)26-14-16-9-10-19(25)24(13-16)12-15-5-2-1-3-6-15/h1-11,13H,12,14H2
InChIKeyAOZKELCNYOPFCK-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.49
Rot. Bonds5

About 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one

1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one (PubChem CID 162540160) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
PubChem CID162540160
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Name1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one
SMILESO=c1ccc(COc2cccc(C(F)(F)F)c2)cn1Cc1ccccc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-7-4-8-18(11-17)26-14-16-9-10-19(25)24(13-16)12-15-5-2-1-3-6-15/h1-11,13H,12,14H2
InChIKeyAOZKELCNYOPFCK-UHFFFAOYSA-N
XLogP4.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholino(3-phenoxyphenyl)methanone
CID 6465484
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(3-phenoxybenzyl)piperazine-1-carboxylate
CID 71656520
N-benzyl-3-(4-propoxyphenyl)acrylamide
CID 1568637
(E)-1-(4-benzylpiperazino)-3-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one
CID 5905781
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(4-methoxybenzyl)-2-propenamide
CID 6270538
2-[3-(trifluoromethyl)phenoxy]ethyl N-benzylcarbamate
CID 11782746
4-(4-fluorobenzyloxy)-1-(3-(2-(pyrrolidin-1-yl)ethoxy)benzyl)pyridin-2(1H)-one
CID 45487330
4-(4-fluorobenzyloxy)-1-(3-(3-(pyrrolidin-1-yl)propoxy)benzyl)pyridin-2(1H)-one
CID 45487366
1-benzyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 57398452
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 127048404
3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 134794816
N-benzyl-N-ethyl-2-phenoxyacetamide
CID 3140501

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
The IUPAC name of 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one (CID 162540160) is 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one is O=c1ccc(COc2cccc(C(F)(F)F)c2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
The InChIKey is AOZKELCNYOPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)17-7-4-8-18(11-17)26-14-16-9-10-19(25)24(13-16)12-15-5-2-1-3-6-15/h1-11,13H,12,14H2.
What are the key properties of 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one?
1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one has a molecular weight of 359.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-one is sourced from PubChem (CID 162540160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).