5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide

C42H51FN2O8 — CID 71515045

About 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide

5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 71515045) has the molecular formula C42H51FN2O8 and a molecular weight of 730.87 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
• PubChem CID: 71515045
• Molecular Formula: C42H51FN2O8
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.36
• IUPAC Name: 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
• SMILES: CC(C)c1c(C(=O)Nc2ccc(CCCOCCOCCOCCO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
• InChI: InChI=1S/C42H51FN2O8/c1-29(2)40-39(42(49)44-34-16-10-30(11-17-34)7-6-21-50-23-25-52-26-24-51-22-20-46)38(31-8-4-3-5-9-31)41(32-12-14-33(43)15-13-32)45(40)19-18-36-27-35(47)28-37(48)53-36/h3-5,8-17,29,35-36,46-47H,6-7,18-28H2,1-2H3,(H,44,49)/t35-,36-/m1/s1
• InChIKey: IRESDCWVKSECAI-LQFQNGICSA-N
• XLogP: 6.77
• TPSA: 128.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide (CID 71515045) is 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide is CC(C)c1c(C(=O)Nc2ccc(CCCOCCOCCOCCO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

The InChIKey is IRESDCWVKSECAI-LQFQNGICSA-N. The full InChI is InChI=1S/C42H51FN2O8/c1-29(2)40-39(42(49)44-34-16-10-30(11-17-34)7-6-21-50-23-25-52-26-24-51-22-20-46)38(31-8-4-3-5-9-31)41(32-12-14-33(43)15-13-32)45(40)19-18-36-27-35(47)28-37(48)53-36/h3-5,8-17,29,35-36,46-47H,6-7,18-28H2,1-2H3,(H,44,49)/t35-,36-/m1/s1.

What are the key properties of 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 730.87 g/mol, XLogP of 6.77, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]phenyl]-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 71515045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).