2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

C24H25F5N2O5 — CID 139208327

IUPAC2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(c2cc(F)c(CC(=O)Nc3ccc(OCCO)c(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C24H25F5N2O5/c1-2-35-21-9-14(12-30-23(21)34)13-7-18(25)16(19(26)8-13)11-22(33)31-15-3-4-20(36-6-5-32)17(10-15)24(27,28)29/h3-4,7-8,10,14,21,32H,2,5-6,9,11-12H2,1H3,(H,30,34)(H,31,33)
InChIKeyVELNCFCVZUWRCY-UHFFFAOYSA-N
MW516.46 g/mol
LogP3.54
Rot. Bonds9

About 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 139208327) has the molecular formula C24H25F5N2O5 and a molecular weight of 516.46 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID139208327
Molecular FormulaC24H25F5N2O5
Molecular Weight516.46 g/mol
Exact Mass516.17
IUPAC Name2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOC1CC(c2cc(F)c(CC(=O)Nc3ccc(OCCO)c(C(F)(F)F)c3)c(F)c2)CNC1=O
InChIInChI=1S/C24H25F5N2O5/c1-2-35-21-9-14(12-30-23(21)34)13-7-18(25)16(19(26)8-13)11-22(33)31-15-3-4-20(36-6-5-32)17(10-15)24(27,28)29/h3-4,7-8,10,14,21,32H,2,5-6,9,11-12H2,1H3,(H,30,34)(H,31,33)
InChIKeyVELNCFCVZUWRCY-UHFFFAOYSA-N
XLogP3.54
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (CID 139208327) is 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is CCOC1CC(c2cc(F)c(CC(=O)Nc3ccc(OCCO)c(C(F)(F)F)c3)c(F)c2)CNC1=O.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VELNCFCVZUWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5N2O5/c1-2-35-21-9-14(12-30-23(21)34)13-7-18(25)16(19(26)8-13)11-22(33)31-15-3-4-20(36-6-5-32)17(10-15)24(27,28)29/h3-4,7-8,10,14,21,32H,2,5-6,9,11-12H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 516.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-6-oxopiperidin-3-yl)-2,6-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139208327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).