3,4,5,6-Tetrachlorophthalimide

C8HCl4NO2 — CID 74077

IUPAC4,5,6,7-tetrachloroisoindole-1,3-dione
SMILESC12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)NC2=O
InChIInChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
InChIKeyLPUUYZVKCMCHLO-UHFFFAOYSA-N
MW284.90 g/mol
LogP3.20
Rot. Bonds

About 3,4,5,6-Tetrachlorophthalimide

3,4,5,6-Tetrachlorophthalimide (PubChem CID 74077) has the molecular formula C8HCl4NO2 and a molecular weight of 284.90 g/mol. Its IUPAC name is 4,5,6,7-tetrachloroisoindole-1,3-dione.

Molecular Properties

Compound Name3,4,5,6-Tetrachlorophthalimide
PubChem CID74077
Molecular FormulaC8HCl4NO2
Molecular Weight284.90 g/mol
Exact Mass284.87
IUPAC Name4,5,6,7-tetrachloroisoindole-1,3-dione
SMILESC12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)NC2=O
InChIInChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
InChIKeyLPUUYZVKCMCHLO-UHFFFAOYSA-N
XLogP3.20
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity294

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-
CID 84615
4,5-Dichlorophthalimide
CID 251543
Plumbane, (3,4,5,6-tetrachloro-N-phthalimido)triethyl-
CID 16683433
4,5,6,7-tetrachloro-2-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CID 287359
4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione
CID 248197
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-heptyl-
CID 106042
2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
CID 305592
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-hexyl-
CID 84616
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-octyl-
CID 106040
4,4',5,5',6,6',7,7'-Octachloro-(2,2')biisoindolyl-1,1',3,3'-tetraone
CID 14512524
4,5,6,7-Tetrachloro-2,3-dihydro-1H-isoindol-1-one
CID 14005624
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-dodecyl-
CID 74078

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-Tetrachlorophthalimide?
The IUPAC name of 3,4,5,6-Tetrachlorophthalimide (CID 74077) is 4,5,6,7-tetrachloroisoindole-1,3-dione.
What is the SMILES notation for 3,4,5,6-Tetrachlorophthalimide?
The canonical SMILES for 3,4,5,6-Tetrachlorophthalimide is C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)NC2=O.
What is the InChIKey of 3,4,5,6-Tetrachlorophthalimide?
The InChIKey is LPUUYZVKCMCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15).
What are the key properties of 3,4,5,6-Tetrachlorophthalimide?
3,4,5,6-Tetrachlorophthalimide has a molecular weight of 284.90 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-Tetrachlorophthalimide is sourced from PubChem (CID 74077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).