2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

C24H26F4N2O5 — CID 139208338

IUPAC2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(OCCO)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C24H26F4N2O5/c1-2-34-21-12-22(32)29-13-17(21)14-3-4-15(19(25)9-14)10-23(33)30-16-5-6-20(35-8-7-31)18(11-16)24(26,27)28/h3-6,9,11,17,21,31H,2,7-8,10,12-13H2,1H3,(H,29,32)(H,30,33)
InChIKeyMBYKWQDUMKALJM-UHFFFAOYSA-N
MW498.47 g/mol
LogP3.41
Rot. Bonds9

About 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 139208338) has the molecular formula C24H26F4N2O5 and a molecular weight of 498.47 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID139208338
Molecular FormulaC24H26F4N2O5
Molecular Weight498.47 g/mol
Exact Mass498.18
IUPAC Name2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(OCCO)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C24H26F4N2O5/c1-2-34-21-12-22(32)29-13-17(21)14-3-4-15(19(25)9-14)10-23(33)30-16-5-6-20(35-8-7-31)18(11-16)24(26,27)28/h3-6,9,11,17,21,31H,2,7-8,10,12-13H2,1H3,(H,29,32)(H,30,33)
InChIKeyMBYKWQDUMKALJM-UHFFFAOYSA-N
XLogP3.41
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide 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-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (CID 139208338) is 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is CCOC1CC(=O)NCC1c1ccc(CC(=O)Nc2ccc(OCCO)c(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MBYKWQDUMKALJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O5/c1-2-34-21-12-22(32)29-13-17(21)14-3-4-15(19(25)9-14)10-23(33)30-16-5-6-20(35-8-7-31)18(11-16)24(26,27)28/h3-6,9,11,17,21,31H,2,7-8,10,12-13H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 498.47 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139208338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).