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

C22H19BrF2N2O3 — CID 22050003

IUPAC3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1C
InChIInChI=1S/C22H19BrF2N2O3/c1-12-9-19(30-11-14-7-8-15(24)10-17(14)25)20(23)22(29)27(12)18-6-4-5-16(13(18)2)21(28)26-3/h4-10H,11H2,1-3H3,(H,26,28)
InChIKeyXWABHDWTIPOKIW-UHFFFAOYSA-N
MW477.31 g/mol
LogP4.43
Rot. Bonds5

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

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide (PubChem CID 22050003) has the molecular formula C22H19BrF2N2O3 and a molecular weight of 477.31 g/mol. Its IUPAC name is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide
PubChem CID22050003
Molecular FormulaC22H19BrF2N2O3
Molecular Weight477.31 g/mol
Exact Mass476.05
IUPAC Name3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1C
InChIInChI=1S/C22H19BrF2N2O3/c1-12-9-19(30-11-14-7-8-15(24)10-17(14)25)20(23)22(29)27(12)18-6-4-5-16(13(18)2)21(28)26-3/h4-10H,11H2,1-3H3,(H,26,28)
InChIKeyXWABHDWTIPOKIW-UHFFFAOYSA-N
XLogP4.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide (CID 22050003) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide is CNC(=O)c1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1C.
What is the InChIKey of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide?
The InChIKey is XWABHDWTIPOKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrF2N2O3/c1-12-9-19(30-11-14-7-8-15(24)10-17(14)25)20(23)22(29)27(12)18-6-4-5-16(13(18)2)21(28)26-3/h4-10H,11H2,1-3H3,(H,26,28).
What are the key properties of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide?
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide has a molecular weight of 477.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 22050003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).