2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

C30H30F2N2O4 — CID 58832129

About 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (PubChem CID 58832129) has the molecular formula C30H30F2N2O4 and a molecular weight of 520.58 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
• PubChem CID: 58832129
• Molecular Formula: C30H30F2N2O4
• Molecular Weight: 520.58 g/mol
• Exact Mass: 520.22
• IUPAC Name: 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
• SMILES: COc1cc(-c2ccc(OC3CCCC3)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc(F)c1F
• InChI: InChI=1S/C30H30F2N2O4/c1-37-28-15-19(14-25(31)29(28)32)18-10-11-27(38-22-6-2-3-7-22)24(13-18)30(36)34-21(17-35)12-20-16-33-26-9-5-4-8-23(20)26/h4-5,8-11,13-16,21-22,33,35H,2-3,6-7,12,17H2,1H3,(H,34,36)/t21-/m1/s1
• InChIKey: OANVSCLBRVQADA-OAQYLSRUSA-N
• XLogP: 5.78
• TPSA: 83.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.58
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

The IUPAC name of 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (CID 58832129) is 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.

What is the SMILES notation for 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

The canonical SMILES for 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is COc1cc(-c2ccc(OC3CCCC3)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)cc(F)c1F.

What is the InChIKey of 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

The InChIKey is OANVSCLBRVQADA-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H30F2N2O4/c1-37-28-15-19(14-25(31)29(28)32)18-10-11-27(38-22-6-2-3-7-22)24(13-18)30(36)34-21(17-35)12-20-16-33-26-9-5-4-8-23(20)26/h4-5,8-11,13-16,21-22,33,35H,2-3,6-7,12,17H2,1H3,(H,34,36)/t21-/m1/s1.

What are the key properties of 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?

2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide has a molecular weight of 520.58 g/mol, XLogP of 5.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyloxy-5-(3,4-difluoro-5-methoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 58832129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).