5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide

C14H12FNO4 — CID 30860239

IUPAC5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)Nc2cccc(F)c2)cc1=O
InChIInChI=1S/C14H12FNO4/c1-2-19-13-8-20-12(7-11(13)17)14(18)16-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyFYJOPTVHOKZXSE-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.43
Rot. Bonds4

About 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide

5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide (PubChem CID 30860239) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide
PubChem CID30860239
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)Nc2cccc(F)c2)cc1=O
InChIInChI=1S/C14H12FNO4/c1-2-19-13-8-20-12(7-11(13)17)14(18)16-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyFYJOPTVHOKZXSE-UHFFFAOYSA-N
XLogP2.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide?
The IUPAC name of 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide (CID 30860239) is 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide is CCOc1coc(C(=O)Nc2cccc(F)c2)cc1=O.
What is the InChIKey of 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide?
The InChIKey is FYJOPTVHOKZXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-2-19-13-8-20-12(7-11(13)17)14(18)16-10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide?
5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(3-fluorophenyl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 30860239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).