N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C27H26I2N4O3 — CID 67663699

About N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 67663699) has the molecular formula C27H26I2N4O3 and a molecular weight of 708.34 g/mol. Its IUPAC name is N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
• PubChem CID: 67663699
• Molecular Formula: C27H26I2N4O3
• Molecular Weight: 708.34 g/mol
• Exact Mass: 708.01
• IUPAC Name: N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
• SMILES: Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(I)cc4I)c(OCCN(C)C)c3)c(C)c2)no1
• InChI: InChI=1S/C27H26I2N4O3/c1-16-13-19(26-30-17(2)36-32-26)6-8-21(16)18-5-9-22(25(14-18)35-12-11-33(3)4)27(34)31-24-10-7-20(28)15-23(24)29/h5-10,13-15H,11-12H2,1-4H3,(H,31,34)
• InChIKey: HJOJQAQZLJIBTP-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.34
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The IUPAC name of N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 67663699) is N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

What is the SMILES notation for N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The canonical SMILES for N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(I)cc4I)c(OCCN(C)C)c3)c(C)c2)no1.

What is the InChIKey of N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The InChIKey is HJOJQAQZLJIBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26I2N4O3/c1-16-13-19(26-30-17(2)36-32-26)6-8-21(16)18-5-9-22(25(14-18)35-12-11-33(3)4)27(34)31-24-10-7-20(28)15-23(24)29/h5-10,13-15H,11-12H2,1-4H3,(H,31,34).

What are the key properties of N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 708.34 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-diiodophenyl)-2-[2-(dimethylamino)ethoxy]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 67663699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).