2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione

C19H15BrFNO2 — CID 58229856

IUPAC2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione
SMILESCC1(F)CC(c2ccc(Br)cc2)(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C19H15BrFNO2/c1-18(21)10-19(11-18,12-6-8-13(20)9-7-12)22-16(23)14-4-2-3-5-15(14)17(22)24/h2-9H,10-11H2,1H3
InChIKeyJUONUHYAIUDNLW-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.46
Rot. Bonds2

About 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione

2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione (PubChem CID 58229856) has the molecular formula C19H15BrFNO2 and a molecular weight of 388.24 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione
PubChem CID58229856
Molecular FormulaC19H15BrFNO2
Molecular Weight388.24 g/mol
Exact Mass387.03
IUPAC Name2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione
SMILESCC1(F)CC(c2ccc(Br)cc2)(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C19H15BrFNO2/c1-18(21)10-19(11-18,12-6-8-13(20)9-7-12)22-16(23)14-4-2-3-5-15(14)17(22)24/h2-9H,10-11H2,1H3
InChIKeyJUONUHYAIUDNLW-UHFFFAOYSA-N
XLogP4.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione (CID 58229856) is 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione is CC1(F)CC(c2ccc(Br)cc2)(N2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione?
The InChIKey is JUONUHYAIUDNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO2/c1-18(21)10-19(11-18,12-6-8-13(20)9-7-12)22-16(23)14-4-2-3-5-15(14)17(22)24/h2-9H,10-11H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione?
2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione has a molecular weight of 388.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-3-fluoro-3-methylcyclobutyl]isoindole-1,3-dione is sourced from PubChem (CID 58229856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).