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

C24H26FNO3 — CID 71575650

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C24H26FNO3/c1-2-26-12-9-21(18-4-6-20(25)7-5-18)22(16-26)24(27)29-13-10-17-3-8-23-19(15-17)11-14-28-23/h3-8,15H,2,9-14,16H2,1H3
InChIKeyZQVGRZYKVFLJPD-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.03
Rot. Bonds6

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

2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 71575650) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID71575650
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C24H26FNO3/c1-2-26-12-9-21(18-4-6-20(25)7-5-18)22(16-26)24(27)29-13-10-17-3-8-23-19(15-17)11-14-28-23/h3-8,15H,2,9-14,16H2,1H3
InChIKeyZQVGRZYKVFLJPD-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 71575650) is 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is ZQVGRZYKVFLJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-2-26-12-9-21(18-4-6-20(25)7-5-18)22(16-26)24(27)29-13-10-17-3-8-23-19(15-17)11-14-28-23/h3-8,15H,2,9-14,16H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 395.47 g/mol, XLogP of 4.03, 6 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 1-ethyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 71575650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).