Zomepirac

C₁₅H₁₄ClNO₃ — CID 5733

About Zomepirac

Zomepirac (PubChem CID 5733) has the molecular formula C₁₅H₁₄ClNO₃ and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid.

Molecular Properties

• Compound Name: Zomepirac
• PubChem CID: 5733
• Molecular Formula: C₁₅H₁₄ClNO₃
• Molecular Weight: 291.73 g/mol
• Exact Mass: 291.07
• IUPAC Name: 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid
• SMILES: Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)
• InChIKey: ZXVNMYWKKDOREA-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 59.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.73
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Zomepirac?

The IUPAC name of Zomepirac (CID 5733) is 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid.

What is the SMILES notation for Zomepirac?

The canonical SMILES for Zomepirac is Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1.

What is the InChIKey of Zomepirac?

The InChIKey is ZXVNMYWKKDOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19).

What are the key properties of Zomepirac?

Zomepirac has a molecular weight of 291.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Zomepirac is sourced from PubChem (CID 5733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5733 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2871 — approved-drug record (CC BY-SA 4.0)

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