2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione

C14H8ClN3O3 — CID 11514965

IUPAC2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1O/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClN3O3/c15-9-5-7-10(8-6-9)16-17-21-18-13(19)11-3-1-2-4-12(11)14(18)20/h1-8H/b17-16+
InChIKeyRYOYUVIJIRTOFU-WUKNDPDISA-N
MW301.69 g/mol
LogP3.57
Rot. Bonds3

About 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione

2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione (PubChem CID 11514965) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione
PubChem CID11514965
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1O/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClN3O3/c15-9-5-7-10(8-6-9)16-17-21-18-13(19)11-3-1-2-4-12(11)14(18)20/h1-8H/b17-16+
InChIKeyRYOYUVIJIRTOFU-WUKNDPDISA-N
XLogP3.57
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)isoindole-1,3-dione
CID 15370735
2-aminooxyisoindole-1,3-dione
CID 89054763
(4-chlorophenyl)-methoxydiazene
CID 131845270
10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one
CID 23547399
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
2-[2-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568120
[2-(4-chlorophenyl)phenyl]-phenyldiazene
CID 87651281
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
2-[(chloroamino)methoxy]isoindole-1,3-dione
CID 89136693
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
CID 88887184

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione (CID 11514965) is 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1O/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione?
The InChIKey is RYOYUVIJIRTOFU-WUKNDPDISA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-9-5-7-10(8-6-9)16-17-21-18-13(19)11-3-1-2-4-12(11)14(18)20/h1-8H/b17-16+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione?
2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione has a molecular weight of 301.69 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione is sourced from PubChem (CID 11514965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).