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

C23H21BrF2N2O4 — CID 22050478

IUPACN-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CNC(=O)CO)c1
InChIInChI=1S/C23H21BrF2N2O4/c1-14-7-20(32-13-17-5-6-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-3-15(8-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30)
InChIKeyUIIVHABJXIQXPN-UHFFFAOYSA-N
MW507.33 g/mol
LogP3.43
Rot. Bonds8

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

N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide (PubChem CID 22050478) has the molecular formula C23H21BrF2N2O4 and a molecular weight of 507.33 g/mol. Its IUPAC name is N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
PubChem CID22050478
Molecular FormulaC23H21BrF2N2O4
Molecular Weight507.33 g/mol
Exact Mass506.07
IUPAC NameN-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CNC(=O)CO)c1
InChIInChI=1S/C23H21BrF2N2O4/c1-14-7-20(32-13-17-5-6-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-3-15(8-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30)
InChIKeyUIIVHABJXIQXPN-UHFFFAOYSA-N
XLogP3.43
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.33
LogP ≤ 53.43
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]methyl]phenyl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide (CID 22050478) is N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]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]methyl]phenyl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(CNC(=O)CO)c1.
What is the InChIKey of N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?
The InChIKey is UIIVHABJXIQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrF2N2O4/c1-14-7-20(32-13-17-5-6-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-3-15(8-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30).
What are the key properties of N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?
N-[[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide has a molecular weight of 507.33 g/mol, XLogP of 3.43, 8 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]methyl]phenyl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 22050478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).