Indoprofen

C₁₇H₁₅NO₃ — CID 3718

About Indoprofen

Indoprofen (PubChem CID 3718) has the molecular formula C₁₇H₁₅NO₃ and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid.

Molecular Properties

• Compound Name: Indoprofen
• PubChem CID: 3718
• Molecular Formula: C₁₇H₁₅NO₃
• Molecular Weight: 281.31 g/mol
• Exact Mass: 281.11
• IUPAC Name: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
• SMILES: CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
• InChI: InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
• InChIKey: RJMIEHBSYVWVIN-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 57.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.31
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Indoprofen?

The IUPAC name of Indoprofen (CID 3718) is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid.

What is the SMILES notation for Indoprofen?

The canonical SMILES for Indoprofen is CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1.

What is the InChIKey of Indoprofen?

The InChIKey is RJMIEHBSYVWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21).

What are the key properties of Indoprofen?

Indoprofen has a molecular weight of 281.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Indoprofen is sourced from PubChem (CID 3718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3718 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1442 — approved-drug record (CC BY-SA 4.0)

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