5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide

C26H19ClF3N3O2 — CID 25205488

About 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide

5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 25205488) has the molecular formula C26H19ClF3N3O2 and a molecular weight of 497.90 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide
• PubChem CID: 25205488
• Molecular Formula: C26H19ClF3N3O2
• Molecular Weight: 497.90 g/mol
• Exact Mass: 497.11
• IUPAC Name: 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide
• SMILES: N#CCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2cccc(Cl)c2)ccc1OC(F)(F)F
• InChI: InChI=1S/C26H19ClF3N3O2/c27-19-5-3-4-16(12-19)17-8-9-24(35-26(28,29)30)22(14-17)25(34)33-20(10-11-31)13-18-15-32-23-7-2-1-6-21(18)23/h1-9,12,14-15,20,32H,10,13H2,(H,33,34)
• InChIKey: ZIUDNMOYLVJWMJ-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 77.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.90
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

The IUPAC name of 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide (CID 25205488) is 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide.

What is the SMILES notation for 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

The canonical SMILES for 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide is N#CCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2cccc(Cl)c2)ccc1OC(F)(F)F.

What is the InChIKey of 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

The InChIKey is ZIUDNMOYLVJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N3O2/c27-19-5-3-4-16(12-19)17-8-9-24(35-26(28,29)30)22(14-17)25(34)33-20(10-11-31)13-18-15-32-23-7-2-1-6-21(18)23/h1-9,12,14-15,20,32H,10,13H2,(H,33,34).

What are the key properties of 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide?

5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 497.90 g/mol, XLogP of 6.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 25205488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).