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2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide

C22H21F5N2O3 — CID 139208344

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)CNC1=O
InChIInChI=1S/C22H21F5N2O3/c1-2-32-19-8-14(11-28-21(19)31)12-3-4-13(17(24)7-12)9-20(30)29-18-10-15(22(25,26)27)5-6-16(18)23/h3-7,10,14,19H,2,8-9,11H2,1H3,(H,28,31)(H,29,30)
InChIKeyLUEMZIPQWKOMIQ-UHFFFAOYSA-N
MW456.41 g/mol
LogP4.17
Rot. Bonds6

About 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide

2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 139208344) has the molecular formula C22H21F5N2O3 and a molecular weight of 456.41 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID139208344
Molecular FormulaC22H21F5N2O3
Molecular Weight456.41 g/mol
Exact Mass456.15
IUPAC Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(c2ccc(CC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)CNC1=O
InChIInChI=1S/C22H21F5N2O3/c1-2-32-19-8-14(11-28-21(19)31)12-3-4-13(17(24)7-12)9-20(30)29-18-10-15(22(25,26)27)5-6-16(18)23/h3-7,10,14,19H,2,8-9,11H2,1H3,(H,28,31)(H,29,30)
InChIKeyLUEMZIPQWKOMIQ-UHFFFAOYSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide (CID 139208344) is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide is CCOC1CC(c2ccc(CC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)CNC1=O.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LUEMZIPQWKOMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N2O3/c1-2-32-19-8-14(11-28-21(19)31)12-3-4-13(17(24)7-12)9-20(30)29-18-10-15(22(25,26)27)5-6-16(18)23/h3-7,10,14,19H,2,8-9,11H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 456.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2-fluorophenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139208344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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