N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide

C22H19BrF2N2O4 — CID 22049888

IUPACN-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(CNC(=O)CO)c1
InChIInChI=1S/C22H19BrF2N2O4/c1-13-7-19(31-12-15-5-6-16(24)9-18(15)25)21(23)22(30)27(13)17-4-2-3-14(8-17)10-26-20(29)11-28/h2-9,28H,10-12H2,1H3,(H,26,29)
InChIKeyNGFYEFJECXILPZ-UHFFFAOYSA-N
MW493.30 g/mol
LogP3.37
Rot. Bonds7

About N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide

N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide (PubChem CID 22049888) has the molecular formula C22H19BrF2N2O4 and a molecular weight of 493.30 g/mol. Its IUPAC name is N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
PubChem CID22049888
Molecular FormulaC22H19BrF2N2O4
Molecular Weight493.30 g/mol
Exact Mass492.05
IUPAC NameN-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(CNC(=O)CO)c1
InChIInChI=1S/C22H19BrF2N2O4/c1-13-7-19(31-12-15-5-6-16(24)9-18(15)25)21(23)22(30)27(13)17-4-2-3-14(8-17)10-26-20(29)11-28/h2-9,28H,10-12H2,1H3,(H,26,29)
InChIKeyNGFYEFJECXILPZ-UHFFFAOYSA-N
XLogP3.37
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide (CID 22049888) is N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(CNC(=O)CO)c1.
What is the InChIKey of N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide?
The InChIKey is NGFYEFJECXILPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O4/c1-13-7-19(31-12-15-5-6-16(24)9-18(15)25)21(23)22(30)27(13)17-4-2-3-14(8-17)10-26-20(29)11-28/h2-9,28H,10-12H2,1H3,(H,26,29).
What are the key properties of N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide?
N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide has a molecular weight of 493.30 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]phenyl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 22049888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).