6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide

C30H36Br2N2O2 — CID 4861466

About 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide

6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 4861466) has the molecular formula C30H36Br2N2O2 and a molecular weight of 616.44 g/mol. Its IUPAC name is 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide
• PubChem CID: 4861466
• Molecular Formula: C30H36Br2N2O2
• Molecular Weight: 616.44 g/mol
• Exact Mass: 614.11
• IUPAC Name: 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide
• SMILES: CC12CCC(C(=O)Nc3cccc4c(NC(=O)C56CCC(C)(C5Br)C6(C)C)cccc34)(C1Br)C2(C)C
• InChI: InChI=1S/C30H36Br2N2O2/c1-25(2)27(5)13-15-29(25,21(27)31)23(35)33-19-11-7-10-18-17(19)9-8-12-20(18)34-24(36)30-16-14-28(6,22(30)32)26(30,3)4/h7-12,21-22H,13-16H2,1-6H3,(H,33,35)(H,34,36)
• InChIKey: BNGZVJPYZCRFEJ-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.44
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide?

The IUPAC name of 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide (CID 4861466) is 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide.

What is the SMILES notation for 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide?

The canonical SMILES for 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide is CC12CCC(C(=O)Nc3cccc4c(NC(=O)C56CCC(C)(C5Br)C6(C)C)cccc34)(C1Br)C2(C)C.

What is the InChIKey of 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide?

The InChIKey is BNGZVJPYZCRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Br2N2O2/c1-25(2)27(5)13-15-29(25,21(27)31)23(35)33-19-11-7-10-18-17(19)9-8-12-20(18)34-24(36)30-16-14-28(6,22(30)32)26(30,3)4/h7-12,21-22H,13-16H2,1-6H3,(H,33,35)(H,34,36).

What are the key properties of 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide?

6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 616.44 g/mol, XLogP of 7.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[5-[(6-bromo-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carbonyl)amino]naphthalen-1-yl]-4,5,5-trimethylbicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 4861466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).