(2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide

C21H17F5N2O4 — CID 69485491

About (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide

(2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide (PubChem CID 69485491) has the molecular formula C21H17F5N2O4 and a molecular weight of 456.37 g/mol. Its IUPAC name is (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide
• PubChem CID: 69485491
• Molecular Formula: C21H17F5N2O4
• Molecular Weight: 456.37 g/mol
• Exact Mass: 456.11
• IUPAC Name: (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide
• SMILES: CNC(=O)[C@H](C)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12
• InChI: InChI=1S/C21H17F5N2O4/c1-9(19(30)27-3)15-10(2)28(14-8-13(22)18(29)17(23)16(14)15)20(31)11-4-6-12(7-5-11)32-21(24,25)26/h4-9,29H,1-3H3,(H,27,30)/t9-/m1/s1
• InChIKey: WEFSILONFJPASG-SECBINFHSA-N
• XLogP: 4.37
• TPSA: 80.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.37
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide?

The IUPAC name of (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide (CID 69485491) is (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide.

What is the SMILES notation for (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide?

The canonical SMILES for (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide is CNC(=O)[C@H](C)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.

What is the InChIKey of (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide?

The InChIKey is WEFSILONFJPASG-SECBINFHSA-N. The full InChI is InChI=1S/C21H17F5N2O4/c1-9(19(30)27-3)15-10(2)28(14-8-13(22)18(29)17(23)16(14)15)20(31)11-4-6-12(7-5-11)32-21(24,25)26/h4-9,29H,1-3H3,(H,27,30)/t9-/m1/s1.

What are the key properties of (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide?

(2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide has a molecular weight of 456.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylpropanamide is sourced from PubChem (CID 69485491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).