2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid

C16H10FNO4 — CID 23792936

IUPAC2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESCc1ccc(F)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C16H10FNO4/c1-8-2-4-10(17)7-13(8)18-14(19)11-5-3-9(16(21)22)6-12(11)15(18)20/h2-7H,1H3,(H,21,22)
InChIKeyQVDGXPSCTTXIBY-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.63
Rot. Bonds2

About 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 23792936) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID23792936
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESCc1ccc(F)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIInChI=1S/C16H10FNO4/c1-8-2-4-10(17)7-13(8)18-14(19)11-5-3-9(16(21)22)6-12(11)15(18)20/h2-7H,1H3,(H,21,22)
InChIKeyQVDGXPSCTTXIBY-UHFFFAOYSA-N
XLogP2.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 23792936) is 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid is Cc1ccc(F)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is QVDGXPSCTTXIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c1-8-2-4-10(17)7-13(8)18-14(19)11-5-3-9(16(21)22)6-12(11)15(18)20/h2-7H,1H3,(H,21,22).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 23792936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).