1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide

C23H22F5N3O2 — CID 167467668

About 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide

1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide (PubChem CID 167467668) has the molecular formula C23H22F5N3O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
• PubChem CID: 167467668
• Molecular Formula: C23H22F5N3O2
• Molecular Weight: 467.44 g/mol
• Exact Mass: 467.16
• IUPAC Name: 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
• SMILES: CC1(C(=O)Nc2c[nH]c3ccc(OCc4ccc(C(F)(F)F)cc4)cc23)CN(CC(F)F)C1
• InChI: InChI=1S/C23H22F5N3O2/c1-22(12-31(13-22)10-20(24)25)21(32)30-19-9-29-18-7-6-16(8-17(18)19)33-11-14-2-4-15(5-3-14)23(26,27)28/h2-9,20,29H,10-13H2,1H3,(H,30,32)
• InChIKey: FFCZSYIXESRUPT-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.44
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide?

The IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide (CID 167467668) is 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide.

What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide?

The canonical SMILES for 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide is CC1(C(=O)Nc2c[nH]c3ccc(OCc4ccc(C(F)(F)F)cc4)cc23)CN(CC(F)F)C1.

What is the InChIKey of 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide?

The InChIKey is FFCZSYIXESRUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N3O2/c1-22(12-31(13-22)10-20(24)25)21(32)30-19-9-29-18-7-6-16(8-17(18)19)33-11-14-2-4-15(5-3-14)23(26,27)28/h2-9,20,29H,10-13H2,1H3,(H,30,32).

What are the key properties of 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide?

1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide has a molecular weight of 467.44 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide is sourced from PubChem (CID 167467668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).