2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide

C27H25F3N2O4 — CID 58831894

About 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide

2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 58831894) has the molecular formula C27H25F3N2O4 and a molecular weight of 498.50 g/mol. Its IUPAC name is 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide
• PubChem CID: 58831894
• Molecular Formula: C27H25F3N2O4
• Molecular Weight: 498.50 g/mol
• Exact Mass: 498.18
• IUPAC Name: 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide
• SMILES: CCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C27H25F3N2O4/c1-2-35-25-11-10-18(17-6-5-7-21(13-17)36-27(28,29)30)14-23(25)26(34)32-20(16-33)12-19-15-31-24-9-4-3-8-22(19)24/h3-11,13-15,20,31,33H,2,12,16H2,1H3,(H,32,34)/t20-/m1/s1
• InChIKey: UARCDVABHNUWPL-HXUWFJFHSA-N
• XLogP: 5.47
• TPSA: 83.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.50
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide?

The IUPAC name of 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide (CID 58831894) is 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide.

What is the SMILES notation for 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide?

The canonical SMILES for 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide is CCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12.

What is the InChIKey of 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide?

The InChIKey is UARCDVABHNUWPL-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H25F3N2O4/c1-2-35-25-11-10-18(17-6-5-7-21(13-17)36-27(28,29)30)14-23(25)26(34)32-20(16-33)12-19-15-31-24-9-4-3-8-22(19)24/h3-11,13-15,20,31,33H,2,12,16H2,1H3,(H,32,34)/t20-/m1/s1.

What are the key properties of 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide?

2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 498.50 g/mol, XLogP of 5.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 58831894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).