N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide

C21H17F3N2O4 — CID 16853849

IUPACN-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)Nc1ccc(F)cc1F
InChIInChI=1S/C21H17F3N2O4/c22-14-3-1-13(2-4-14)12-30-20-9-26(16(11-27)8-19(20)28)10-21(29)25-18-6-5-15(23)7-17(18)24/h1-9,27H,10-12H2,(H,25,29)
InChIKeyYMBQHFIIJJZSGU-UHFFFAOYSA-N
MW418.37 g/mol
LogP2.98
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide

N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide (PubChem CID 16853849) has the molecular formula C21H17F3N2O4 and a molecular weight of 418.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
PubChem CID16853849
Molecular FormulaC21H17F3N2O4
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC NameN-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)Nc1ccc(F)cc1F
InChIInChI=1S/C21H17F3N2O4/c22-14-3-1-13(2-4-14)12-30-20-9-26(16(11-27)8-19(20)28)10-21(29)25-18-6-5-15(23)7-17(18)24/h1-9,27H,10-12H2,(H,25,29)
InChIKeyYMBQHFIIJJZSGU-UHFFFAOYSA-N
XLogP2.98
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
CID 16852826
N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
CID 16852985
N-(4-fluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
CID 16852822
N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844680
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 53369854
N-(5-chloro-2-methoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853159
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-difluorophenyl)acetamide
CID 62815111
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
CID 16853801
N-(2,4-difluorophenyl)-2-[(5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126275467
N-(2,4-difluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395963
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
5-[(4-fluorophenyl)methoxy]-N,1-dimethyl-4-oxopyridine-2-carboxamide
CID 42441092

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide (CID 16853849) is N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide is O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?
The InChIKey is YMBQHFIIJJZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4/c22-14-3-1-13(2-4-14)12-30-20-9-26(16(11-27)8-19(20)28)10-21(29)25-18-6-5-15(23)7-17(18)24/h1-9,27H,10-12H2,(H,25,29).
What are the key properties of N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide?
N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide has a molecular weight of 418.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16853849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).