5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione

C15H11IN2O2 — CID 46231057

IUPAC5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ccc([125I])cc3)cc2C1=O
InChIInChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3/i16-2
InChIKeyAIZUHTVHAMBNDQ-RFLHHMENSA-N
MW376.17 g/mol
LogP3.26
Rot. Bonds2

About 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione

5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione (PubChem CID 46231057) has the molecular formula C15H11IN2O2 and a molecular weight of 376.17 g/mol. Its IUPAC name is 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione
PubChem CID46231057
Molecular FormulaC15H11IN2O2
Molecular Weight376.17 g/mol
Exact Mass375.99
IUPAC Name5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ccc([125I])cc3)cc2C1=O
InChIInChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3/i16-2
InChIKeyAIZUHTVHAMBNDQ-RFLHHMENSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione (CID 46231057) is 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Nc3ccc([125I])cc3)cc2C1=O.
What is the InChIKey of 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione?
The InChIKey is AIZUHTVHAMBNDQ-RFLHHMENSA-N. The full InChI is InChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3/i16-2.
What are the key properties of 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione?
5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione has a molecular weight of 376.17 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-(125I)iodoanilino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 46231057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).