5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide

C29H31FN2O4 — CID 58832154

About 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide

5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide (PubChem CID 58832154) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide.

Molecular Properties

• Compound Name: 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
• PubChem CID: 58832154
• Molecular Formula: C29H31FN2O4
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.23
• IUPAC Name: 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
• SMILES: CCCOc1ccc(-c2cc(OCC)ccc2F)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C29H31FN2O4/c1-3-13-36-28-12-9-19(24-16-22(35-4-2)10-11-26(24)30)15-25(28)29(34)32-21(18-33)14-20-17-31-27-8-6-5-7-23(20)27/h5-12,15-17,21,31,33H,3-4,13-14,18H2,1-2H3,(H,32,34)/t21-/m1/s1
• InChIKey: MXWWNNSLLVIYNF-OAQYLSRUSA-N
• XLogP: 5.49
• TPSA: 83.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide (CID 58832154) is 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide.

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

The canonical SMILES for 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide is CCCOc1ccc(-c2cc(OCC)ccc2F)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12.

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

The InChIKey is MXWWNNSLLVIYNF-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-3-13-36-28-12-9-19(24-16-22(35-4-2)10-11-26(24)30)15-25(28)29(34)32-21(18-33)14-20-17-31-27-8-6-5-7-23(20)27/h5-12,15-17,21,31,33H,3-4,13-14,18H2,1-2H3,(H,32,34)/t21-/m1/s1.

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

5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide has a molecular weight of 490.58 g/mol, XLogP of 5.49, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 58832154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).