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

C15H11FN2O2 — CID 28773130

IUPAC5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(F)cc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H11FN2O2/c1-8-2-3-9(16)6-13(8)18-14(19)11-5-4-10(17)7-12(11)15(18)20/h2-7H,17H2,1H3
InChIKeyTYUUUEANCWNOBO-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.52
Rot. Bonds1

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

5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione (PubChem CID 28773130) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
PubChem CID28773130
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(F)cc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H11FN2O2/c1-8-2-3-9(16)6-13(8)18-14(19)11-5-4-10(17)7-12(11)15(18)20/h2-7H,17H2,1H3
InChIKeyTYUUUEANCWNOBO-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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Related Compounds

2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 23792936
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889
5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
CID 62813021
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 105371505
5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione
CID 79049356
5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 114345879
5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione
CID 86734765
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
5-amino-2-(1,3-dimethylpyrazol-4-yl)isoindole-1,3-dione
CID 102805951
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione (CID 28773130) is 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione is Cc1ccc(F)cc1N1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione?
The InChIKey is TYUUUEANCWNOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-8-2-3-9(16)6-13(8)18-14(19)11-5-4-10(17)7-12(11)15(18)20/h2-7H,17H2,1H3.
What are the key properties of 5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione?
5-amino-2-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 28773130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).