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

C29H31FN2O3 — CID 58831908

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

5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (PubChem CID 58831908) has the molecular formula C29H31FN2O3 and a molecular weight of 474.58 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.

Molecular Properties

• Compound Name: 5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
• PubChem CID: 58831908
• Molecular Formula: C29H31FN2O3
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.23
• IUPAC Name: 5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide
• SMILES: CCCOc1ccc(-c2ccc(C)cc2F)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12
• InChI: InChI=1S/C29H31FN2O3/c1-4-13-35-28-12-10-20(23-11-9-19(2)14-26(23)30)16-25(28)29(34)31-22(18-33)15-21-17-32(3)27-8-6-5-7-24(21)27/h5-12,14,16-17,22,33H,4,13,15,18H2,1-3H3,(H,31,34)/t22-/m1/s1
• InChIKey: AVNMHVPSYMJCQJ-JOCHJYFZSA-N
• XLogP: 5.42
• TPSA: 63.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide (CID 58831908) is 5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide.

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

The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is CCCOc1ccc(-c2ccc(C)cc2F)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12.

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

The InChIKey is AVNMHVPSYMJCQJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H31FN2O3/c1-4-13-35-28-12-10-20(23-11-9-19(2)14-26(23)30)16-25(28)29(34)31-22(18-33)15-21-17-32(3)27-8-6-5-7-24(21)27/h5-12,14,16-17,22,33H,4,13,15,18H2,1-3H3,(H,31,34)/t22-/m1/s1.

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

5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide has a molecular weight of 474.58 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxy-3-(1-methylindol-3-yl)propan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 58831908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).