Tolfenamic acid

C₁₄H₁₂ClNO₂ — CID 610479

About Tolfenamic acid

Tolfenamic acid (PubChem CID 610479) has the molecular formula C₁₄H₁₂ClNO₂ and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)benzoic acid.

Molecular Properties

• Compound Name: Tolfenamic acid
• PubChem CID: 610479
• Molecular Formula: C₁₄H₁₂ClNO₂
• Molecular Weight: 261.71 g/mol
• Exact Mass: 261.06
• IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid
• SMILES: Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
• InChI: InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
• InChIKey: YEZNLOUZAIOMLT-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.71
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Tolfenamic acid?

The IUPAC name of Tolfenamic acid (CID 610479) is 2-(3-chloro-2-methylanilino)benzoic acid.

What is the SMILES notation for Tolfenamic acid?

The canonical SMILES for Tolfenamic acid is Cc1c(Cl)cccc1Nc1ccccc1C(=O)O.

What is the InChIKey of Tolfenamic acid?

The InChIKey is YEZNLOUZAIOMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18).

What are the key properties of Tolfenamic acid?

Tolfenamic acid has a molecular weight of 261.71 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tolfenamic acid is sourced from PubChem (CID 610479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 610479 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2698 — approved-drug record (CC BY-SA 4.0)

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