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

C25H25BrF2N2O4 — CID 22050826

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

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide (PubChem CID 22050826) has the molecular formula C25H25BrF2N2O4 and a molecular weight of 535.39 g/mol. Its IUPAC name is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide.

Molecular Properties

• Compound Name: 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide
• PubChem CID: 22050826
• Molecular Formula: C25H25BrF2N2O4
• Molecular Weight: 535.39 g/mol
• Exact Mass: 534.10
• IUPAC Name: 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide
• SMILES: COCCN(C)C(=O)c1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1C
• InChI: InChI=1S/C25H25BrF2N2O4/c1-15-12-22(34-14-17-8-9-18(27)13-20(17)28)23(26)25(32)30(15)21-7-5-6-19(16(21)2)24(31)29(3)10-11-33-4/h5-9,12-13H,10-11,14H2,1-4H3
• InChIKey: ULRKLUMSCIKKEK-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 60.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.39
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-methoxyethyl)-N,2-dimethylbenzamide?

The IUPAC name of 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide (CID 22050826) is 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-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-methoxyethyl)-N,2-dimethylbenzamide?

The canonical SMILES for 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide is COCCN(C)C(=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-methoxyethyl)-N,2-dimethylbenzamide?

The InChIKey is ULRKLUMSCIKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrF2N2O4/c1-15-12-22(34-14-17-8-9-18(27)13-20(17)28)23(26)25(32)30(15)21-7-5-6-19(16(21)2)24(31)29(3)10-11-33-4/h5-9,12-13H,10-11,14H2,1-4H3.

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

3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide has a molecular weight of 535.39 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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-methoxyethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 22050826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).