3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one

C24H22ClF2N3O3 — CID 22050902

About 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one (PubChem CID 22050902) has the molecular formula C24H22ClF2N3O3 and a molecular weight of 473.91 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one
• PubChem CID: 22050902
• Molecular Formula: C24H22ClF2N3O3
• Molecular Weight: 473.91 g/mol
• Exact Mass: 473.13
• IUPAC Name: 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one
• SMILES: CNCC(=O)N1Cc2ccc(-n3c(C)cc(OCc4ccc(F)cc4F)c(Cl)c3=O)cc2C1
• InChI: InChI=1S/C24H22ClF2N3O3/c1-14-7-21(33-13-16-3-5-18(26)9-20(16)27)23(25)24(32)30(14)19-6-4-15-11-29(12-17(15)8-19)22(31)10-28-2/h3-9,28H,10-13H2,1-2H3
• InChIKey: ZJCIMXJNOWDRAR-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.91
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one?

The IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one (CID 22050902) is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one.

What is the SMILES notation for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one?

The canonical SMILES for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one is CNCC(=O)N1Cc2ccc(-n3c(C)cc(OCc4ccc(F)cc4F)c(Cl)c3=O)cc2C1.

What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one?

The InChIKey is ZJCIMXJNOWDRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N3O3/c1-14-7-21(33-13-16-3-5-18(26)9-20(16)27)23(25)24(32)30(14)19-6-4-15-11-29(12-17(15)8-19)22(31)10-28-2/h3-9,28H,10-13H2,1-2H3.

What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one?

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one has a molecular weight of 473.91 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-[2-(methylamino)acetyl]-1,3-dihydroisoindol-5-yl]pyridin-2-one is sourced from PubChem (CID 22050902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).