6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one

C17H19F2NO2 — CID 153450471

IUPAC6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one
SMILESC=CCOc1cc(F)c(C2=CCC(C)C(=O)N2CC)c(F)c1
InChIInChI=1S/C17H19F2NO2/c1-4-8-22-12-9-13(18)16(14(19)10-12)15-7-6-11(3)17(21)20(15)5-2/h4,7,9-11H,1,5-6,8H2,2-3H3
InChIKeyCXWWBWCZKAKAIT-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.76
Rot. Bonds5

About 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one

6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one (PubChem CID 153450471) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one
PubChem CID153450471
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one
SMILESC=CCOc1cc(F)c(C2=CCC(C)C(=O)N2CC)c(F)c1
InChIInChI=1S/C17H19F2NO2/c1-4-8-22-12-9-13(18)16(14(19)10-12)15-7-6-11(3)17(21)20(15)5-2/h4,7,9-11H,1,5-6,8H2,2-3H3
InChIKeyCXWWBWCZKAKAIT-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-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

Related Compounds

3-chloro-1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451650
6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451159
1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451089
1-ethyl-3-methyl-6-[4-(methylsulfanylmethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153450541
1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
CID 153451379
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450545
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methylsulfanylmethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450535
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153450449
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451404
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451550
3-chloro-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-enoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451558
6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-1-methyl-3,4-dihydropyridin-2-one
CID 153450935

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one (CID 153450471) is 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one is C=CCOc1cc(F)c(C2=CCC(C)C(=O)N2CC)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one?
The InChIKey is CXWWBWCZKAKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c1-4-8-22-12-9-13(18)16(14(19)10-12)15-7-6-11(3)17(21)20(15)5-2/h4,7,9-11H,1,5-6,8H2,2-3H3.
What are the key properties of 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one?
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one has a molecular weight of 307.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153450471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).