2-benzyl-5-bromoisoindole-1,3-dione

C15H10BrNO2 — CID 2259945

IUPAC2-benzyl-5-bromoisoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)15(19)17(14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyONOGZPQVJLPGMR-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.25
Rot. Bonds2

About 2-benzyl-5-bromoisoindole-1,3-dione

2-benzyl-5-bromoisoindole-1,3-dione (PubChem CID 2259945) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-benzyl-5-bromoisoindole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-5-bromoisoindole-1,3-dione
PubChem CID2259945
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name2-benzyl-5-bromoisoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)15(19)17(14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyONOGZPQVJLPGMR-UHFFFAOYSA-N
XLogP3.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.25
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

N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Cyclohexylphthalimide
CID 225739
2-Benzylisoindolin-1-one
CID 1485883
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
2-Benzoyl-1H-isoindole-1,3(2H)-dione
CID 97623
5-Bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CID 44435680
N-(3-Phenylallyl)phthalimide
CID 5389074
2-(3-bromo-2-oxopropyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 222037
1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
CID 11325

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-bromoisoindole-1,3-dione?
The IUPAC name of 2-benzyl-5-bromoisoindole-1,3-dione (CID 2259945) is 2-benzyl-5-bromoisoindole-1,3-dione.
What is the SMILES notation for 2-benzyl-5-bromoisoindole-1,3-dione?
The canonical SMILES for 2-benzyl-5-bromoisoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-bromoisoindole-1,3-dione?
The InChIKey is ONOGZPQVJLPGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-11-6-7-12-13(8-11)15(19)17(14(12)18)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-benzyl-5-bromoisoindole-1,3-dione?
2-benzyl-5-bromoisoindole-1,3-dione has a molecular weight of 316.15 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-bromoisoindole-1,3-dione is sourced from PubChem (CID 2259945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).