[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

C23H20FNO4 — CID 8567361

IUPAC[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C23H20FNO4/c1-15-19-13-18(24)7-8-20(19)29-22(15)23(27)28-14-21(26)25-11-9-17(10-12-25)16-5-3-2-4-6-16/h2-9,13H,10-12,14H2,1H3
InChIKeyBCZTXUHCAXKUBI-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.35
Rot. Bonds4

About [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8567361) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID8567361
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C23H20FNO4/c1-15-19-13-18(24)7-8-20(19)29-22(15)23(27)28-14-21(26)25-11-9-17(10-12-25)16-5-3-2-4-6-16/h2-9,13H,10-12,14H2,1H3
InChIKeyBCZTXUHCAXKUBI-UHFFFAOYSA-N
XLogP4.35
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate 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 [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 8567361) is [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)N2CC=C(c3ccccc3)CC2)oc2ccc(F)cc12.
What is the InChIKey of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is BCZTXUHCAXKUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-15-19-13-18(24)7-8-20(19)29-22(15)23(27)28-14-21(26)25-11-9-17(10-12-25)16-5-3-2-4-6-16/h2-9,13H,10-12,14H2,1H3.
What are the key properties of [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 393.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8567361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).