Bromadal

C₇H₁₃BrN₂O₂ — CID 6488

About Bromadal

Bromadal (PubChem CID 6488) has the molecular formula C₇H₁₃BrN₂O₂ and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-bromo-N-carbamoyl-2-ethylbutanamide.

Molecular Properties

• Compound Name: Bromadal
• PubChem CID: 6488
• Molecular Formula: C₇H₁₃BrN₂O₂
• Molecular Weight: 237.10 g/mol
• Exact Mass: 236.02
• IUPAC Name: 2-bromo-N-carbamoyl-2-ethylbutanamide
• SMILES: CCC(Br)(CC)C(=O)NC(N)=O
• InChI: InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
• InChIKey: OPNPQXLQERQBBV-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 72.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.10
LogP ≤ 5	1.13
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 Bromadal?

The IUPAC name of Bromadal (CID 6488) is 2-bromo-N-carbamoyl-2-ethylbutanamide.

What is the SMILES notation for Bromadal?

The canonical SMILES for Bromadal is CCC(Br)(CC)C(=O)NC(N)=O.

What is the InChIKey of Bromadal?

The InChIKey is OPNPQXLQERQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12).

What are the key properties of Bromadal?

Bromadal has a molecular weight of 237.10 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Bromadal is sourced from PubChem (CID 6488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6488 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 504 — approved-drug record (CC BY-SA 4.0)

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