Carprofen

C₁₅H₁₂ClNO₂ — CID 2581

About Carprofen

Carprofen (PubChem CID 2581) has the molecular formula C₁₅H₁₂ClNO₂ and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(6-chloro-9H-carbazol-2-yl)propanoic acid.

Molecular Properties

• Compound Name: Carprofen
• PubChem CID: 2581
• Molecular Formula: C₁₅H₁₂ClNO₂
• Molecular Weight: 273.72 g/mol
• Exact Mass: 273.06
• IUPAC Name: 2-(6-chloro-9H-carbazol-2-yl)propanoic acid
• SMILES: CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
• InChI: InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
• InChIKey: PUXBGTOOZJQSKH-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 53.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.72
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Carprofen?

The IUPAC name of Carprofen (CID 2581) is 2-(6-chloro-9H-carbazol-2-yl)propanoic acid.

What is the SMILES notation for Carprofen?

The canonical SMILES for Carprofen is CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.

What is the InChIKey of Carprofen?

The InChIKey is PUXBGTOOZJQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19).

What are the key properties of Carprofen?

Carprofen has a molecular weight of 273.72 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Carprofen is sourced from PubChem (CID 2581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2581 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 518 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.