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

C23H22F5N3O2 — CID 167468236

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

1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide (PubChem CID 167468236) has the molecular formula C23H22F5N3O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
• PubChem CID: 167468236
• Molecular Formula: C23H22F5N3O2
• Molecular Weight: 467.44 g/mol
• Exact Mass: 467.16
• IUPAC Name: 1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
• SMILES: O=C(Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12)C1CN(CC(F)F)C1
• InChI: InChI=1S/C23H22F5N3O2/c24-21(25)13-31-11-15(12-31)22(32)30-20-10-29-19-6-5-17(9-18(19)20)33-8-7-14-1-3-16(4-2-14)23(26,27)28/h1-6,9-10,15,21,29H,7-8,11-13H2,(H,30,32)
• InChIKey: XKOZHOBZZLZNHX-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.44
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide (CID 167468236) is 1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide.

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

The canonical SMILES for 1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide is O=C(Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12)C1CN(CC(F)F)C1.

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

The InChIKey is XKOZHOBZZLZNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N3O2/c24-21(25)13-31-11-15(12-31)22(32)30-20-10-29-19-6-5-17(9-18(19)20)33-8-7-14-1-3-16(4-2-14)23(26,27)28/h1-6,9-10,15,21,29H,7-8,11-13H2,(H,30,32).

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

1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide has a molecular weight of 467.44 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide is sourced from PubChem (CID 167468236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).