5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione

C14H9Cl2N3O2 — CID 139787354

IUPAC5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione
SMILESNc1cc(Cl)c(N2C(=O)c3ccc(N)cc3C2=O)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-10-4-7(18)5-11(16)12(10)19-13(20)8-2-1-6(17)3-9(8)14(19)21/h1-5H,17-18H2
InChIKeyORZKISIVOSZHCM-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.96
Rot. Bonds1

About 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione

5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione (PubChem CID 139787354) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione
PubChem CID139787354
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione
SMILESNc1cc(Cl)c(N2C(=O)c3ccc(N)cc3C2=O)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O2/c15-10-4-7(18)5-11(16)12(10)19-13(20)8-2-1-6(17)3-9(8)14(19)21/h1-5H,17-18H2
InChIKeyORZKISIVOSZHCM-UHFFFAOYSA-N
XLogP2.96
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione with MolForge

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Related Compounds

5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione
CID 107600970
5-amino-2-(3-chloro-2-pyridinyl)isoindole-1,3-dione
CID 103094637
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 159530815
5-amino-2-(3,5-dimethoxyphenyl)isoindole-1,3-dione
CID 86258282
5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
4-(5-amino-1,3-dioxoisoindol-2-yl)benzoic acid
CID 18411559
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
CID 28773206
5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
CID 62813021
5-amino-2-(3-fluoro-5-methylphenyl)isoindole-1,3-dione
CID 79049356
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione?
The IUPAC name of 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione (CID 139787354) is 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione is Nc1cc(Cl)c(N2C(=O)c3ccc(N)cc3C2=O)c(Cl)c1.
What is the InChIKey of 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione?
The InChIKey is ORZKISIVOSZHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-10-4-7(18)5-11(16)12(10)19-13(20)8-2-1-6(17)3-9(8)14(19)21/h1-5H,17-18H2.
What are the key properties of 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione?
5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione has a molecular weight of 322.15 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 139787354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).