2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione

C18H10BrNO2 — CID 1379582

IUPAC2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H10BrNO2/c19-12-7-9-13(10-8-12)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H
InChIKeyBOACMWREWMODMP-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.40
Rot. Bonds1

About 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione

2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 1379582) has the molecular formula C18H10BrNO2 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID1379582
Molecular FormulaC18H10BrNO2
Molecular Weight352.19 g/mol
Exact Mass350.99
IUPAC Name2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C18H10BrNO2/c19-12-7-9-13(10-8-12)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H
InChIKeyBOACMWREWMODMP-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.40
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-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione (CID 1379582) is 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is BOACMWREWMODMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNO2/c19-12-7-9-13(10-8-12)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H.
What are the key properties of 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione?
2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 352.19 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1379582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).