6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide

C53H61Br2ClN8O4 — CID 145305237

About 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide

6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide (PubChem CID 145305237) has the molecular formula C53H61Br2ClN8O4 and a molecular weight of 1069.38 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide
• PubChem CID: 145305237
• Molecular Formula: C53H61Br2ClN8O4
• Molecular Weight: 1069.38 g/mol
• Exact Mass: 1066.29
• IUPAC Name: 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide
• SMILES: CCN(C)CCN(C)CCNC(=O)c1c(/C=C/c2ccc(C)cc2)[nH]c2cc(Br)ccc12.O=CCCC(=O)N1CCN(CCNC(=O)c2c(/C=C/c3ccc(Cl)cc3)[nH]c3cc(Br)ccc23)CC1
• InChI: InChI=1S/C27H28BrClN4O3.C26H33BrN4O/c28-20-6-9-22-24(18-20)31-23(10-5-19-3-7-21(29)8-4-19)26(22)27(36)30-11-12-32-13-15-33(16-14-32)25(35)2-1-17-34;1-5-30(3)16-17-31(4)15-14-28-26(32)25-22-12-11-21(27)18-24(22)29-23(25)13-10-20-8-6-19(2)7-9-20/h3-10,17-18,31H,1-2,11-16H2,(H,30,36);6-13,18,29H,5,14-17H2,1-4H3,(H,28,32)/b10-5+;13-10+
• InChIKey: SCQWGIDKJOEIDU-YLJZNXGHSA-N
• XLogP: 9.63
• TPSA: 136.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.38
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide?

The IUPAC name of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide (CID 145305237) is 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide.

What is the SMILES notation for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide?

The canonical SMILES for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide is CCN(C)CCN(C)CCNC(=O)c1c(/C=C/c2ccc(C)cc2)[nH]c2cc(Br)ccc12.O=CCCC(=O)N1CCN(CCNC(=O)c2c(/C=C/c3ccc(Cl)cc3)[nH]c3cc(Br)ccc23)CC1.

What is the InChIKey of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide?

The InChIKey is SCQWGIDKJOEIDU-YLJZNXGHSA-N. The full InChI is InChI=1S/C27H28BrClN4O3.C26H33BrN4O/c28-20-6-9-22-24(18-20)31-23(10-5-19-3-7-21(29)8-4-19)26(22)27(36)30-11-12-32-13-15-33(16-14-32)25(35)2-1-17-34;1-5-30(3)16-17-31(4)15-14-28-26(32)25-22-12-11-21(27)18-24(22)29-23(25)13-10-20-8-6-19(2)7-9-20/h3-10,17-18,31H,1-2,11-16H2,(H,30,36);6-13,18,29H,5,14-17H2,1-4H3,(H,28,32)/b10-5+;13-10+.

What are the key properties of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide?

6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide has a molecular weight of 1069.38 g/mol, XLogP of 9.63, 19 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-[4-(4-oxobutanoyl)piperazin-1-yl]ethyl]-1H-indole-3-carboxamide;6-bromo-N-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 145305237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).