Lobenzarit

C₁₄H₁₀ClNO₄ — CID 3946

About Lobenzarit

Lobenzarit (PubChem CID 3946) has the molecular formula C₁₄H₁₀ClNO₄ and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-(2-carboxyanilino)-4-chlorobenzoic acid.

Molecular Properties

• Compound Name: Lobenzarit
• PubChem CID: 3946
• Molecular Formula: C₁₄H₁₀ClNO₄
• Molecular Weight: 291.69 g/mol
• Exact Mass: 291.03
• IUPAC Name: 2-(2-carboxyanilino)-4-chlorobenzoic acid
• SMILES: O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
• InChI: InChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
• InChIKey: UGDPYGKWIHHBMB-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 86.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.69
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Lobenzarit?

The IUPAC name of Lobenzarit (CID 3946) is 2-(2-carboxyanilino)-4-chlorobenzoic acid.

What is the SMILES notation for Lobenzarit?

The canonical SMILES for Lobenzarit is O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O.

What is the InChIKey of Lobenzarit?

The InChIKey is UGDPYGKWIHHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20).

What are the key properties of Lobenzarit?

Lobenzarit has a molecular weight of 291.69 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Lobenzarit is sourced from PubChem (CID 3946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3946 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1591 — approved-drug record (CC BY-SA 4.0)

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