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

C27H26F2N2O3 — CID 58832141

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

5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide (PubChem CID 58832141) has the molecular formula C27H26F2N2O3 and a molecular weight of 464.51 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide.

Molecular Properties

• Compound Name: 5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
• PubChem CID: 58832141
• Molecular Formula: C27H26F2N2O3
• Molecular Weight: 464.51 g/mol
• Exact Mass: 464.19
• IUPAC Name: 5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
• SMILES: CCCOc1ccc(-c2cccc(F)c2F)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C27H26F2N2O3/c1-2-12-34-25-11-10-17(21-7-5-8-23(28)26(21)29)14-22(25)27(33)31-19(16-32)13-18-15-30-24-9-4-3-6-20(18)24/h3-11,14-15,19,30,32H,2,12-13,16H2,1H3,(H,31,33)/t19-/m1/s1
• InChIKey: VQCATRUCUKSCEI-LJQANCHMSA-N
• XLogP: 5.24
• TPSA: 74.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.51
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide (CID 58832141) is 5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide.

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

The canonical SMILES for 5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide is CCCOc1ccc(-c2cccc(F)c2F)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12.

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

The InChIKey is VQCATRUCUKSCEI-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26F2N2O3/c1-2-12-34-25-11-10-17(21-7-5-8-23(28)26(21)29)14-22(25)27(33)31-19(16-32)13-18-15-30-24-9-4-3-6-20(18)24/h3-11,14-15,19,30,32H,2,12-13,16H2,1H3,(H,31,33)/t19-/m1/s1.

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

5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide has a molecular weight of 464.51 g/mol, XLogP of 5.24, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 58832141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).