2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

C24H21F5N2O5 — CID 78426333

IUPAC2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3ccc(OCCO)c(C(F)(F)F)c3)c(F)c2F)c[nH]c1=O
InChIInChI=1S/C24H21F5N2O5/c1-2-35-19-9-14(12-30-23(19)34)16-5-3-13(21(25)22(16)26)10-20(33)31-15-4-6-18(36-8-7-32)17(11-15)24(27,28)29/h3-6,9,11-12,32H,2,7-8,10H2,1H3,(H,30,34)(H,31,33)
InChIKeyDBAIOFPQXZMYCC-UHFFFAOYSA-N
MW512.43 g/mol
LogP4.29
Rot. Bonds9

About 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide

2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 78426333) has the molecular formula C24H21F5N2O5 and a molecular weight of 512.43 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID78426333
Molecular FormulaC24H21F5N2O5
Molecular Weight512.43 g/mol
Exact Mass512.14
IUPAC Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3ccc(OCCO)c(C(F)(F)F)c3)c(F)c2F)c[nH]c1=O
InChIInChI=1S/C24H21F5N2O5/c1-2-35-19-9-14(12-30-23(19)34)16-5-3-13(21(25)22(16)26)10-20(33)31-15-4-6-18(36-8-7-32)17(11-15)24(27,28)29/h3-6,9,11-12,32H,2,7-8,10H2,1H3,(H,30,34)(H,31,33)
InChIKeyDBAIOFPQXZMYCC-UHFFFAOYSA-N
XLogP4.29
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.43
LogP ≤ 54.29
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-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide (CID 78426333) is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is CCOc1cc(-c2ccc(CC(=O)Nc3ccc(OCCO)c(C(F)(F)F)c3)c(F)c2F)c[nH]c1=O.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DBAIOFPQXZMYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N2O5/c1-2-35-19-9-14(12-30-23(19)34)16-5-3-13(21(25)22(16)26)10-20(33)31-15-4-6-18(36-8-7-32)17(11-15)24(27,28)29/h3-6,9,11-12,32H,2,7-8,10H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 512.43 g/mol, XLogP of 4.29, 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-oxo-1H-pyridin-3-yl)-2,3-difluorophenyl]-N-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78426333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).