2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

C29H31FN2O4 — CID 58832069

About 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (PubChem CID 58832069) has the molecular formula C29H31FN2O4 and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
• PubChem CID: 58832069
• Molecular Formula: C29H31FN2O4
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.23
• IUPAC Name: 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
• SMILES: CCCOc1ccc(-c2ccc(OCC)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1F
• InChI: InChI=1S/C29H31FN2O4/c1-3-13-36-28-12-10-20(16-25(28)30)19-9-11-27(35-4-2)24(15-19)29(34)32-22(18-33)14-21-17-31-26-8-6-5-7-23(21)26/h5-12,15-17,22,31,33H,3-4,13-14,18H2,1-2H3,(H,32,34)/t22-/m1/s1
• InChIKey: LJPNOANAYOTCAR-JOCHJYFZSA-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 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

The IUPAC name of 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (CID 58832069) is 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.

What is the SMILES notation for 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

The canonical SMILES for 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is CCCOc1ccc(-c2ccc(OCC)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc1F.

What is the InChIKey of 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

The InChIKey is LJPNOANAYOTCAR-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H31FN2O4/c1-3-13-36-28-12-10-20(16-25(28)30)19-9-11-27(35-4-2)24(15-19)29(34)32-22(18-33)14-21-17-31-26-8-6-5-7-23(21)26/h5-12,15-17,22,31,33H,3-4,13-14,18H2,1-2H3,(H,32,34)/t22-/m1/s1.

What are the key properties of 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide 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 2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 58832069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).