3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one

C24H21BrF2N2O4 — CID 69025877

About 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one

3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one (PubChem CID 69025877) has the molecular formula C24H21BrF2N2O4 and a molecular weight of 519.34 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one
• PubChem CID: 69025877
• Molecular Formula: C24H21BrF2N2O4
• Molecular Weight: 519.34 g/mol
• Exact Mass: 518.07
• IUPAC Name: 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one
• SMILES: Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(=O)N2CCOCC2)c1
• InChI: InChI=1S/C24H21BrF2N2O4/c1-15-11-21(33-14-17-5-6-18(26)13-20(17)27)22(25)24(31)29(15)19-4-2-3-16(12-19)23(30)28-7-9-32-10-8-28/h2-6,11-13H,7-10,14H2,1H3
• InChIKey: CUTQBIQQHQAYKS-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 60.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.34
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one?

The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one (CID 69025877) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one.

What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one?

The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccc(C(=O)N2CCOCC2)c1.

What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one?

The InChIKey is CUTQBIQQHQAYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrF2N2O4/c1-15-11-21(33-14-17-5-6-18(26)13-20(17)27)22(25)24(31)29(15)19-4-2-3-16(12-19)23(30)28-7-9-32-10-8-28/h2-6,11-13H,7-10,14H2,1H3.

What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one?

3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one has a molecular weight of 519.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one is sourced from PubChem (CID 69025877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).