Bromopride

C₁₄H₂₂BrN₃O₂ — CID 2446

About Bromopride

Bromopride (PubChem CID 2446) has the molecular formula C₁₄H₂₂BrN₃O₂ and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: Bromopride
• PubChem CID: 2446
• Molecular Formula: C₁₄H₂₂BrN₃O₂
• Molecular Weight: 344.25 g/mol
• Exact Mass: 343.09
• IUPAC Name: 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
• SMILES: CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC
• InChI: InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
• InChIKey: GIYAQDDTCWHPPL-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 67.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.25
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bromopride?

The IUPAC name of Bromopride (CID 2446) is 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.

What is the SMILES notation for Bromopride?

The canonical SMILES for Bromopride is CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC.

What is the InChIKey of Bromopride?

The InChIKey is GIYAQDDTCWHPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19).

What are the key properties of Bromopride?

Bromopride has a molecular weight of 344.25 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Bromopride is sourced from PubChem (CID 2446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2446 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 406 — approved-drug record (CC BY-SA 4.0)

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