1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one

C16H17FINO2 — CID 153451089

IUPAC1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
SMILESC=CCOc1cccc(F)c1C1=CCC(I)C(=O)N1CC
InChIInChI=1S/C16H17FINO2/c1-3-10-21-14-7-5-6-11(17)15(14)13-9-8-12(18)16(20)19(13)4-2/h3,5-7,9,12H,1,4,8,10H2,2H3
InChIKeyKQVNUPGOSWTKAH-UHFFFAOYSA-N
MW401.22 g/mol
LogP3.79
Rot. Bonds5

About 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one

1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one (PubChem CID 153451089) has the molecular formula C16H17FINO2 and a molecular weight of 401.22 g/mol. Its IUPAC name is 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
PubChem CID153451089
Molecular FormulaC16H17FINO2
Molecular Weight401.22 g/mol
Exact Mass401.03
IUPAC Name1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
SMILESC=CCOc1cccc(F)c1C1=CCC(I)C(=O)N1CC
InChIInChI=1S/C16H17FINO2/c1-3-10-21-14-7-5-6-11(17)15(14)13-9-8-12(18)16(20)19(13)4-2/h3,5-7,9,12H,1,4,8,10H2,2H3
InChIKeyKQVNUPGOSWTKAH-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
The IUPAC name of 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one (CID 153451089) is 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one is C=CCOc1cccc(F)c1C1=CCC(I)C(=O)N1CC.
What is the InChIKey of 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
The InChIKey is KQVNUPGOSWTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO2/c1-3-10-21-14-7-5-6-11(17)15(14)13-9-8-12(18)16(20)19(13)4-2/h3,5-7,9,12H,1,4,8,10H2,2H3.
What are the key properties of 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one?
1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one has a molecular weight of 401.22 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-fluoro-6-prop-2-enoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).