N-(4-fluorophenyl)-6-oxopyran-3-carboxamide

C12H8FNO3 — CID 565189

IUPACN-(4-fluorophenyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(=O)oc1
InChIInChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-12(16)8-1-6-11(15)17-7-8/h1-7H,(H,14,16)
InChIKeyOENFVGHDPCEJET-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.03
Rot. Bonds2

About N-(4-fluorophenyl)-6-oxopyran-3-carboxamide

N-(4-fluorophenyl)-6-oxopyran-3-carboxamide (PubChem CID 565189) has the molecular formula C12H8FNO3 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-oxopyran-3-carboxamide
PubChem CID565189
Molecular FormulaC12H8FNO3
Molecular Weight233.20 g/mol
Exact Mass233.05
IUPAC NameN-(4-fluorophenyl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(=O)oc1
InChIInChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-12(16)8-1-6-11(15)17-7-8/h1-7H,(H,14,16)
InChIKeyOENFVGHDPCEJET-UHFFFAOYSA-N
XLogP2.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-6-oxopyran-3-carboxamide 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 N-(4-fluorophenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-oxopyran-3-carboxamide (CID 565189) is N-(4-fluorophenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-oxopyran-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(=O)oc1.
What is the InChIKey of N-(4-fluorophenyl)-6-oxopyran-3-carboxamide?
The InChIKey is OENFVGHDPCEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)14-12(16)8-1-6-11(15)17-7-8/h1-7H,(H,14,16).
What are the key properties of N-(4-fluorophenyl)-6-oxopyran-3-carboxamide?
N-(4-fluorophenyl)-6-oxopyran-3-carboxamide has a molecular weight of 233.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 565189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).