6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide

C28H33Br2N3O3 — CID 154957731

About 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide

6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide (PubChem CID 154957731) has the molecular formula C28H33Br2N3O3 and a molecular weight of 619.40 g/mol. Its IUPAC name is 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide
• PubChem CID: 154957731
• Molecular Formula: C28H33Br2N3O3
• Molecular Weight: 619.40 g/mol
• Exact Mass: 617.09
• IUPAC Name: 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide
• SMILES: CNC(=O)c1cn(CC(C)(C)COc2cn(CC(C)(C)CO)c3cc(Br)ccc23)c2cc(Br)ccc12
• InChI: InChI=1S/C28H33Br2N3O3/c1-27(2,16-34)14-33-13-25(21-9-7-19(30)11-24(21)33)36-17-28(3,4)15-32-12-22(26(35)31-5)20-8-6-18(29)10-23(20)32/h6-13,34H,14-17H2,1-5H3,(H,31,35)
• InChIKey: FWVMSFUOXNADFT-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 68.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.40
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide?

The IUPAC name of 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide (CID 154957731) is 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide.

What is the SMILES notation for 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide?

The canonical SMILES for 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide is CNC(=O)c1cn(CC(C)(C)COc2cn(CC(C)(C)CO)c3cc(Br)ccc23)c2cc(Br)ccc12.

What is the InChIKey of 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide?

The InChIKey is FWVMSFUOXNADFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33Br2N3O3/c1-27(2,16-34)14-33-13-25(21-9-7-19(30)11-24(21)33)36-17-28(3,4)15-32-12-22(26(35)31-5)20-8-6-18(29)10-23(20)32/h6-13,34H,14-17H2,1-5H3,(H,31,35).

What are the key properties of 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide?

6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide has a molecular weight of 619.40 g/mol, XLogP of 6.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide is sourced from PubChem (CID 154957731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).