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

C23H21BrF2N2O4 — CID 22050201

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

N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide (PubChem CID 22050201) has the molecular formula C23H21BrF2N2O4 and a molecular weight of 507.33 g/mol. Its IUPAC name is N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
• PubChem CID: 22050201
• Molecular Formula: C23H21BrF2N2O4
• Molecular Weight: 507.33 g/mol
• Exact Mass: 506.07
• IUPAC Name: N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide
• SMILES: Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(CNC(=O)CO)cc1
• InChI: InChI=1S/C23H21BrF2N2O4/c1-14-8-20(32-13-17-6-7-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-15(3-5-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30)
• InChIKey: UUGRITXHIRFZNA-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 80.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.33
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?

The IUPAC name of N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide (CID 22050201) is N-[[4-[[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-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?

The canonical SMILES for N-[[4-[[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)n1Cc1ccc(CNC(=O)CO)cc1.

What is the InChIKey of N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?

The InChIKey is UUGRITXHIRFZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrF2N2O4/c1-14-8-20(32-13-17-6-7-18(25)9-19(17)26)22(24)23(31)28(14)11-16-4-2-15(3-5-16)10-27-21(30)12-29/h2-9,29H,10-13H2,1H3,(H,27,30).

What are the key properties of N-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide?

N-[[4-[[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-[[4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 22050201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).