2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione

C20H11IN2O5 — CID 1126520

IUPAC2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C20H11IN2O5/c21-12-1-3-13(4-2-12)22-19(24)17-10-9-16(11-18(17)20(22)25)28-15-7-5-14(6-8-15)23(26)27/h1-11H
InChIKeyRSDKILXAYMXRGP-UHFFFAOYSA-N
MW486.22 g/mol
LogP4.79
Rot. Bonds4

About 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione

2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione (PubChem CID 1126520) has the molecular formula C20H11IN2O5 and a molecular weight of 486.22 g/mol. Its IUPAC name is 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
PubChem CID1126520
Molecular FormulaC20H11IN2O5
Molecular Weight486.22 g/mol
Exact Mass485.97
IUPAC Name2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C20H11IN2O5/c21-12-1-3-13(4-2-12)22-19(24)17-10-9-16(11-18(17)20(22)25)28-15-7-5-14(6-8-15)23(26)27/h1-11H
InChIKeyRSDKILXAYMXRGP-UHFFFAOYSA-N
XLogP4.79
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.22
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 3109986
[4-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]phenyl] acetate
CID 1115457
5-methoxy-2-(4-nitrophenyl)isoindole-1,3-dione
CID 68976074
methyl 4-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
CID 2831526
5-nitro-2-[4-[4-[4-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenoxy]phenyl]sulfonylphenoxy]phenyl]isoindole-1,3-dione
CID 3108370
5-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid
CID 2834936
2-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-5-nitroisoindole-1,3-dione
CID 1132321
2-(4-methylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione
CID 1115477
2-(2-hydroxy-4-nitrophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione
CID 17296478
5-(4-nitrophenoxy)-2-pyridin-2-ylisoindole-1,3-dione
CID 1117013
5-(4-chlorophenoxy)-2-(3-nitrophenyl)isoindole-1,3-dione
CID 1296002
2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 1365686

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione (CID 1126520) is 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione is O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
The InChIKey is RSDKILXAYMXRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11IN2O5/c21-12-1-3-13(4-2-12)22-19(24)17-10-9-16(11-18(17)20(22)25)28-15-7-5-14(6-8-15)23(26)27/h1-11H.
What are the key properties of 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione?
2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione has a molecular weight of 486.22 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-5-(4-nitrophenoxy)isoindole-1,3-dione is sourced from PubChem (CID 1126520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).