(2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide

C24H35FN2O2 — CID 7330712

About (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide

(2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide (PubChem CID 7330712) has the molecular formula C24H35FN2O2 and a molecular weight of 402.55 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide.

Molecular Properties

• Compound Name: (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide
• PubChem CID: 7330712
• Molecular Formula: C24H35FN2O2
• Molecular Weight: 402.55 g/mol
• Exact Mass: 402.27
• IUPAC Name: (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide
• SMILES: CCCC[C@@H](CC)C(=O)N(CCCOC)Cc1cccn1Cc1cccc(F)c1
• InChI: InChI=1S/C24H35FN2O2/c1-4-6-11-21(5-2)24(28)27(15-9-16-29-3)19-23-13-8-14-26(23)18-20-10-7-12-22(25)17-20/h7-8,10,12-14,17,21H,4-6,9,11,15-16,18-19H2,1-3H3/t21-/m1/s1
• InChIKey: HZRJTIVTZVMLHP-OAQYLSRUSA-N
• XLogP: 5.26
• TPSA: 34.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.55
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide?

The IUPAC name of (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide (CID 7330712) is (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide.

What is the SMILES notation for (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide?

The canonical SMILES for (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide is CCCC[C@@H](CC)C(=O)N(CCCOC)Cc1cccn1Cc1cccc(F)c1.

What is the InChIKey of (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide?

The InChIKey is HZRJTIVTZVMLHP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H35FN2O2/c1-4-6-11-21(5-2)24(28)27(15-9-16-29-3)19-23-13-8-14-26(23)18-20-10-7-12-22(25)17-20/h7-8,10,12-14,17,21H,4-6,9,11,15-16,18-19H2,1-3H3/t21-/m1/s1.

What are the key properties of (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide?

(2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide has a molecular weight of 402.55 g/mol, XLogP of 5.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-ethyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)hexanamide is sourced from PubChem (CID 7330712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).