5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione

C15H11FN2O2 — CID 79049356

IUPAC5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione
SMILESCc1cc(F)cc(N2C(=O)c3ccc(N)cc3C2=O)c1
InChIInChI=1S/C15H11FN2O2/c1-8-4-9(16)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)15(18)20/h2-7H,17H2,1H3
InChIKeyHHVOKBKMBVRVEN-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.52
Rot. Bonds1

About 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione

5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione (PubChem CID 79049356) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione
PubChem CID79049356
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione
SMILESCc1cc(F)cc(N2C(=O)c3ccc(N)cc3C2=O)c1
InChIInChI=1S/C15H11FN2O2/c1-8-4-9(16)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)15(18)20/h2-7H,17H2,1H3
InChIKeyHHVOKBKMBVRVEN-UHFFFAOYSA-N
XLogP2.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione (CID 79049356) is 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione is Cc1cc(F)cc(N2C(=O)c3ccc(N)cc3C2=O)c1.
What is the InChIKey of 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione?
The InChIKey is HHVOKBKMBVRVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-8-4-9(16)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)15(18)20/h2-7H,17H2,1H3.
What are the key properties of 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione?
5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione has a molecular weight of 270.26 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 79049356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).