1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one

C14H15FN2O — CID 82898029

IUPAC1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one
SMILESCc1ccc(NCCn2ccccc2=O)cc1F
InChIInChI=1S/C14H15FN2O/c1-11-5-6-12(10-13(11)15)16-7-9-17-8-3-2-4-14(17)18/h2-6,8,10,16H,7,9H2,1H3
InChIKeyDYAJTRYMJJSJGR-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one

1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one (PubChem CID 82898029) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one
PubChem CID82898029
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one
SMILESCc1ccc(NCCn2ccccc2=O)cc1F
InChIInChI=1S/C14H15FN2O/c1-11-5-6-12(10-13(11)15)16-7-9-17-8-3-2-4-14(17)18/h2-6,8,10,16H,7,9H2,1H3
InChIKeyDYAJTRYMJJSJGR-UHFFFAOYSA-N
XLogP2.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one (CID 82898029) is 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one is Cc1ccc(NCCn2ccccc2=O)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one?
The InChIKey is DYAJTRYMJJSJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-11-5-6-12(10-13(11)15)16-7-9-17-8-3-2-4-14(17)18/h2-6,8,10,16H,7,9H2,1H3.
What are the key properties of 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one?
1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one has a molecular weight of 246.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one is sourced from PubChem (CID 82898029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).