1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one

C18H19F3N2O2 — CID 162561019

IUPAC1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one
SMILESO=c1c(O)c(CN2CCCC2C(F)(F)F)ccn1Cc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-7-4-9-22(15)12-14-8-10-23(17(25)16(14)24)11-13-5-2-1-3-6-13/h1-3,5-6,8,10,15,24H,4,7,9,11-12H2
InChIKeyRRAHJXHIAUBTEL-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.13
Rot. Bonds4

About 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one

1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one (PubChem CID 162561019) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one
PubChem CID162561019
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one
SMILESO=c1c(O)c(CN2CCCC2C(F)(F)F)ccn1Cc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-7-4-9-22(15)12-14-8-10-23(17(25)16(14)24)11-13-5-2-1-3-6-13/h1-3,5-6,8,10,15,24H,4,7,9,11-12H2
InChIKeyRRAHJXHIAUBTEL-UHFFFAOYSA-N
XLogP3.13
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one (CID 162561019) is 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one is O=c1c(O)c(CN2CCCC2C(F)(F)F)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
The InChIKey is RRAHJXHIAUBTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)15-7-4-9-22(15)12-14-8-10-23(17(25)16(14)24)11-13-5-2-1-3-6-13/h1-3,5-6,8,10,15,24H,4,7,9,11-12H2.
What are the key properties of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one has a molecular weight of 352.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 162561019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).