3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide

C23H23F3N2O2 — CID 167467588

About 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide

3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide (PubChem CID 167467588) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
• PubChem CID: 167467588
• Molecular Formula: C23H23F3N2O2
• Molecular Weight: 416.44 g/mol
• Exact Mass: 416.17
• IUPAC Name: 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
• SMILES: CC1CC(C(=O)Nc2c[nH]c3ccc(OCCc4ccc(C(F)(F)F)cc4)cc23)C1
• InChI: InChI=1S/C23H23F3N2O2/c1-14-10-16(11-14)22(29)28-21-13-27-20-7-6-18(12-19(20)21)30-9-8-15-2-4-17(5-3-15)23(24,25)26/h2-7,12-14,16,27H,8-11H2,1H3,(H,28,29)
• InChIKey: XPNNBYUNAULZIM-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.44
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide (CID 167467588) is 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide.

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

The canonical SMILES for 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide is CC1CC(C(=O)Nc2c[nH]c3ccc(OCCc4ccc(C(F)(F)F)cc4)cc23)C1.

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

The InChIKey is XPNNBYUNAULZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-14-10-16(11-14)22(29)28-21-13-27-20-7-6-18(12-19(20)21)30-9-8-15-2-4-17(5-3-15)23(24,25)26/h2-7,12-14,16,27H,8-11H2,1H3,(H,28,29).

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

3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 167467588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).