5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide

C30H31FN2O3 — CID 69110537

About 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide

5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (PubChem CID 69110537) has the molecular formula C30H31FN2O3 and a molecular weight of 486.59 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.

Molecular Properties

• Compound Name: 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
• PubChem CID: 69110537
• Molecular Formula: C30H31FN2O3
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.23
• IUPAC Name: 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
• SMILES: CCCOc1ccc(C=Cc2ccc(F)cc2)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12
• InChI: InChI=1S/C30H31FN2O3/c1-3-16-36-29-15-12-22(9-8-21-10-13-24(31)14-11-21)17-27(29)30(35)32-25(20-34)18-23-19-33(2)28-7-5-4-6-26(23)28/h4-15,17,19,25,34H,3,16,18,20H2,1-2H3,(H,32,35)/t25-/m1/s1
• InChIKey: DRQKHKAYFYBPPP-RUZDIDTESA-N
• XLogP: 5.61
• TPSA: 63.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

The IUPAC name of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (CID 69110537) is 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.

What is the SMILES notation for 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

The canonical SMILES for 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is CCCOc1ccc(C=Cc2ccc(F)cc2)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12.

What is the InChIKey of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

The InChIKey is DRQKHKAYFYBPPP-RUZDIDTESA-N. The full InChI is InChI=1S/C30H31FN2O3/c1-3-16-36-29-15-12-22(9-8-21-10-13-24(31)14-11-21)17-27(29)30(35)32-25(20-34)18-23-19-33(2)28-7-5-4-6-26(23)28/h4-15,17,19,25,34H,3,16,18,20H2,1-2H3,(H,32,35)/t25-/m1/s1.

What are the key properties of 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide?

5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide has a molecular weight of 486.59 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 69110537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).