4-amino-2-(4-iodophenyl)isoindole-1,3-dione

C14H9IN2O2 — CID 28976688

IUPAC4-amino-2-(4-iodophenyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1ccc(I)cc1)C2=O
InChIInChI=1S/C14H9IN2O2/c15-8-4-6-9(7-5-8)17-13(18)10-2-1-3-11(16)12(10)14(17)19/h1-7H,16H2
InChIKeyZAXFCAOVSFYUEO-UHFFFAOYSA-N
MW364.14 g/mol
LogP2.67
Rot. Bonds1

About 4-amino-2-(4-iodophenyl)isoindole-1,3-dione

4-amino-2-(4-iodophenyl)isoindole-1,3-dione (PubChem CID 28976688) has the molecular formula C14H9IN2O2 and a molecular weight of 364.14 g/mol. Its IUPAC name is 4-amino-2-(4-iodophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(4-iodophenyl)isoindole-1,3-dione
PubChem CID28976688
Molecular FormulaC14H9IN2O2
Molecular Weight364.14 g/mol
Exact Mass363.97
IUPAC Name4-amino-2-(4-iodophenyl)isoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1ccc(I)cc1)C2=O
InChIInChI=1S/C14H9IN2O2/c15-8-4-6-9(7-5-8)17-13(18)10-2-1-3-11(16)12(10)14(17)19/h1-7H,16H2
InChIKeyZAXFCAOVSFYUEO-UHFFFAOYSA-N
XLogP2.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 4-amino-2-(4-iodophenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(4-iodophenyl)isoindole-1,3-dione (CID 28976688) is 4-amino-2-(4-iodophenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(4-iodophenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(4-iodophenyl)isoindole-1,3-dione is Nc1cccc2c1C(=O)N(c1ccc(I)cc1)C2=O.
What is the InChIKey of 4-amino-2-(4-iodophenyl)isoindole-1,3-dione?
The InChIKey is ZAXFCAOVSFYUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O2/c15-8-4-6-9(7-5-8)17-13(18)10-2-1-3-11(16)12(10)14(17)19/h1-7H,16H2.
What are the key properties of 4-amino-2-(4-iodophenyl)isoindole-1,3-dione?
4-amino-2-(4-iodophenyl)isoindole-1,3-dione has a molecular weight of 364.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-iodophenyl)isoindole-1,3-dione is sourced from PubChem (CID 28976688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).