N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide

C23H20ClF3N2O4 — CID 22050076

IUPACN-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(F)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1
InChIInChI=1S/C23H20ClF3N2O4/c1-13-7-20(33-11-15-4-5-16(25)9-18(15)27)22(24)23(31)29(13)19-8-14(3-6-17(19)26)10-28-21(30)12-32-2/h3-9H,10-12H2,1-2H3,(H,28,30)
InChIKeyNOVKNBICRJXKAV-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.06
Rot. Bonds8

About N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide

N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide (PubChem CID 22050076) has the molecular formula C23H20ClF3N2O4 and a molecular weight of 480.87 g/mol. Its IUPAC name is N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide
PubChem CID22050076
Molecular FormulaC23H20ClF3N2O4
Molecular Weight480.87 g/mol
Exact Mass480.11
IUPAC NameN-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(F)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1
InChIInChI=1S/C23H20ClF3N2O4/c1-13-7-20(33-11-15-4-5-16(25)9-18(15)27)22(24)23(31)29(13)19-8-14(3-6-17(19)26)10-28-21(30)12-32-2/h3-9H,10-12H2,1-2H3,(H,28,30)
InChIKeyNOVKNBICRJXKAV-UHFFFAOYSA-N
XLogP4.06
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-nitrosoacetamide
CID 143008514
N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-methoxyacetamide
CID 22050071
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chlorobenzoate
CID 22050601
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22049967
CID 89134455
CID 89134455
4-[[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-2-methylbenzoic acid
CID 69021901
1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050202
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one
CID 22050902
[2-[[3-chloro-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methylurea
CID 69069827

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide (CID 22050076) is N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(F)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Cl)c2=O)c1.
What is the InChIKey of N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide?
The InChIKey is NOVKNBICRJXKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O4/c1-13-7-20(33-11-15-4-5-16(25)9-18(15)27)22(24)23(31)29(13)19-8-14(3-6-17(19)26)10-28-21(30)12-32-2/h3-9H,10-12H2,1-2H3,(H,28,30).
What are the key properties of N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide?
N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide has a molecular weight of 480.87 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 22050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).