5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one

C19H21FN2O3 — CID 16852721

IUPAC5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
SMILESCc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)N1CCCC1
InChIInChI=1S/C19H21FN2O3/c1-14-10-17(23)18(25-13-15-6-2-3-7-16(15)20)11-22(14)12-19(24)21-8-4-5-9-21/h2-3,6-7,10-11H,4-5,8-9,12-13H2,1H3
InChIKeyXZZNCVYOVOKIIL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.50
Rot. Bonds5

About 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one

5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one (PubChem CID 16852721) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
PubChem CID16852721
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one
SMILESCc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)N1CCCC1
InChIInChI=1S/C19H21FN2O3/c1-14-10-17(23)18(25-13-15-6-2-3-7-16(15)20)11-22(14)12-19(24)21-8-4-5-9-21/h2-3,6-7,10-11H,4-5,8-9,12-13H2,1H3
InChIKeyXZZNCVYOVOKIIL-UHFFFAOYSA-N
XLogP2.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one (CID 16852721) is 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one is Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)N1CCCC1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
The InChIKey is XZZNCVYOVOKIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14-10-17(23)18(25-13-15-6-2-3-7-16(15)20)11-22(14)12-19(24)21-8-4-5-9-21/h2-3,6-7,10-11H,4-5,8-9,12-13H2,1H3.
What are the key properties of 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one?
5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one has a molecular weight of 344.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-4-one is sourced from PubChem (CID 16852721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).