3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide

C25H17F3N4O2 — CID 66981645

About 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide

3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide (PubChem CID 66981645) has the molecular formula C25H17F3N4O2 and a molecular weight of 462.43 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide
• PubChem CID: 66981645
• Molecular Formula: C25H17F3N4O2
• Molecular Weight: 462.43 g/mol
• Exact Mass: 462.13
• IUPAC Name: 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide
• SMILES: Cc1cnc(-c2ccc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3F)c3c2C(=O)NC3)[nH]1
• InChI: InChI=1S/C25H17F3N4O2/c1-12-10-29-23(31-12)19-5-4-17(20-11-30-25(34)22(19)20)18-3-2-16(9-21(18)28)32-24(33)13-6-14(26)8-15(27)7-13/h2-10H,11H2,1H3,(H,29,31)(H,30,34)(H,32,33)
• InChIKey: BQJRAVRDXYHRJJ-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.43
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide?

The IUPAC name of 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide (CID 66981645) is 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide.

What is the SMILES notation for 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide?

The canonical SMILES for 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide is Cc1cnc(-c2ccc(-c3ccc(NC(=O)c4cc(F)cc(F)c4)cc3F)c3c2C(=O)NC3)[nH]1.

What is the InChIKey of 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide?

The InChIKey is BQJRAVRDXYHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2/c1-12-10-29-23(31-12)19-5-4-17(20-11-30-25(34)22(19)20)18-3-2-16(9-21(18)28)32-24(33)13-6-14(26)8-15(27)7-13/h2-10H,11H2,1H3,(H,29,31)(H,30,34)(H,32,33).

What are the key properties of 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide?

3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide has a molecular weight of 462.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]benzamide is sourced from PubChem (CID 66981645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).