5,6-dichloro-2-phenylisoindole-1,3-dione

C14H7Cl2NO2 — CID 626023

IUPAC5,6-dichloro-2-phenylisoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H7Cl2NO2/c15-11-6-9-10(7-12(11)16)14(19)17(13(9)18)8-4-2-1-3-5-8/h1-7H
InChIKeyOTQBCGHNEOOVBN-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.79
Rot. Bonds1

About 5,6-dichloro-2-phenylisoindole-1,3-dione

5,6-dichloro-2-phenylisoindole-1,3-dione (PubChem CID 626023) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 5,6-dichloro-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-phenylisoindole-1,3-dione
PubChem CID626023
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name5,6-dichloro-2-phenylisoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccccc1
InChIInChI=1S/C14H7Cl2NO2/c15-11-6-9-10(7-12(11)16)14(19)17(13(9)18)8-4-2-1-3-5-8/h1-7H
InChIKeyOTQBCGHNEOOVBN-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
Phthalimide, N-(p-chlorophenyl)-
CID 81867
3,4-dichloro-N-phenylbenzamide
CID 504156
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
CID 1901244
N-(4-Amino-2-chlorophenyl)phthalimide
CID 6603717
N-(3-Chlorophenyl)-phthalimide
CID 504333
5-chloro-2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 25266663
6-chloro-2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 25266667
4-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 73350410
2-(3-Chloro-4-methylphenyl)isoindole-1,3-dione
CID 644566
N-(4-Amino-o-tolyl)-4-chlorophthalimide
CID 93991
2-(4-chlorophenyl)-N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)acetamide
CID 893047

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-phenylisoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-phenylisoindole-1,3-dione (CID 626023) is 5,6-dichloro-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-phenylisoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-phenylisoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccccc1.
What is the InChIKey of 5,6-dichloro-2-phenylisoindole-1,3-dione?
The InChIKey is OTQBCGHNEOOVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-11-6-9-10(7-12(11)16)14(19)17(13(9)18)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5,6-dichloro-2-phenylisoindole-1,3-dione?
5,6-dichloro-2-phenylisoindole-1,3-dione has a molecular weight of 292.12 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 626023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).