5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione

C15H10BrFN2O2 — CID 107592889

IUPAC5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
SMILESCc1cc(F)c(Br)cc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H10BrFN2O2/c1-7-4-12(17)11(16)6-13(7)19-14(20)9-3-2-8(18)5-10(9)15(19)21/h2-6H,18H2,1H3
InChIKeyRVMAVLIIXUKMBO-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.28
Rot. Bonds1

About 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione

5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione (PubChem CID 107592889) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
PubChem CID107592889
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
SMILESCc1cc(F)c(Br)cc1N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C15H10BrFN2O2/c1-7-4-12(17)11(16)6-13(7)19-14(20)9-3-2-8(18)5-10(9)15(19)21/h2-6H,18H2,1H3
InChIKeyRVMAVLIIXUKMBO-UHFFFAOYSA-N
XLogP3.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.28
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'}

Analyze 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione (CID 107592889) is 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione is Cc1cc(F)c(Br)cc1N1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione?
The InChIKey is RVMAVLIIXUKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-7-4-12(17)11(16)6-13(7)19-14(20)9-3-2-8(18)5-10(9)15(19)21/h2-6H,18H2,1H3.
What are the key properties of 5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione?
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione has a molecular weight of 349.16 g/mol, XLogP of 3.28, 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-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 107592889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).