2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

C23H24FNO3 — CID 71575652

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C23H24FNO3/c1-25-11-8-18(19-4-2-3-5-21(19)24)20(15-25)23(26)28-12-9-16-6-7-22-17(14-16)10-13-27-22/h2-7,14H,8-13,15H2,1H3
InChIKeyMWFQIDNMZVEVKH-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 71575652) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID71575652
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C23H24FNO3/c1-25-11-8-18(19-4-2-3-5-21(19)24)20(15-25)23(26)28-12-9-16-6-7-22-17(14-16)10-13-27-22/h2-7,14H,8-13,15H2,1H3
InChIKeyMWFQIDNMZVEVKH-UHFFFAOYSA-N
XLogP3.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-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-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 71575652) is 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is MWFQIDNMZVEVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-25-11-8-18(19-4-2-3-5-21(19)24)20(15-25)23(26)28-12-9-16-6-7-22-17(14-16)10-13-27-22/h2-7,14H,8-13,15H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 4-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 71575652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).