4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide

C24H23F3N2O2 — CID 170059611

About 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide

4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide (PubChem CID 170059611) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
• PubChem CID: 170059611
• Molecular Formula: C24H23F3N2O2
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.17
• IUPAC Name: 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
• SMILES: CC12CC(C1)C(C(=O)Nc1c[nH]c3ccc(OCc4ccc(C(F)(F)F)cc4)cc13)C2
• InChI: InChI=1S/C24H23F3N2O2/c1-23-9-15(10-23)19(11-23)22(30)29-21-12-28-20-7-6-17(8-18(20)21)31-13-14-2-4-16(5-3-14)24(25,26)27/h2-8,12,15,19,28H,9-11,13H2,1H3,(H,29,30)
• InChIKey: BUIJYQFMSRMNNQ-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide?

The IUPAC name of 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide (CID 170059611) is 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide.

What is the SMILES notation for 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide?

The canonical SMILES for 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide is CC12CC(C1)C(C(=O)Nc1c[nH]c3ccc(OCc4ccc(C(F)(F)F)cc4)cc13)C2.

What is the InChIKey of 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide?

The InChIKey is BUIJYQFMSRMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-23-9-15(10-23)19(11-23)22(30)29-21-12-28-20-7-6-17(8-18(20)21)31-13-14-2-4-16(5-3-14)24(25,26)27/h2-8,12,15,19,28H,9-11,13H2,1H3,(H,29,30).

What are the key properties of 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide?

4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide is sourced from PubChem (CID 170059611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).