5-bromo-2-(2-propylphenyl)isoindole-1,3-dione

C17H14BrNO2 — CID 86154964

IUPAC5-bromo-2-(2-propylphenyl)isoindole-1,3-dione
SMILESCCCc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C17H14BrNO2/c1-2-5-11-6-3-4-7-15(11)19-16(20)13-9-8-12(18)10-14(13)17(19)21/h3-4,6-10H,2,5H2,1H3
InChIKeyGWBURLUVUAJWEV-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.20
Rot. Bonds3

About 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione

5-bromo-2-(2-propylphenyl)isoindole-1,3-dione (PubChem CID 86154964) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(2-propylphenyl)isoindole-1,3-dione
PubChem CID86154964
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name5-bromo-2-(2-propylphenyl)isoindole-1,3-dione
SMILESCCCc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C17H14BrNO2/c1-2-5-11-6-3-4-7-15(11)19-16(20)13-9-8-12(18)10-14(13)17(19)21/h3-4,6-10H,2,5H2,1H3
InChIKeyGWBURLUVUAJWEV-UHFFFAOYSA-N
XLogP4.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylphenyl)-5-fluoroisoindole-1,3-dione
CID 70261734
2-(2-hexylphenyl)isoindole-1,3-dione
CID 10638446
5-amino-2-(4-bromo-2-ethylphenyl)isoindole-1,3-dione
CID 81289908
3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
CID 60975787
3-[2-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
CID 70566223
2-(2,3-diethylphenyl)isoindole-1,3-dione
CID 67993045
5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
CID 60976544
2-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide
CID 168517550
2-oxopropyl 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1218330
6-bromo-3-(2-propylphenyl)-1H-benzimidazole-2-thione
CID 63547463
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione (CID 86154964) is 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione is CCCc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione?
The InChIKey is GWBURLUVUAJWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-2-5-11-6-3-4-7-15(11)19-16(20)13-9-8-12(18)10-14(13)17(19)21/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione?
5-bromo-2-(2-propylphenyl)isoindole-1,3-dione has a molecular weight of 344.21 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-propylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 86154964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).