2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid

C15H7Cl2NO4 — CID 761478

IUPAC2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O
InChIInChI=1S/C15H7Cl2NO4/c16-10-2-1-3-11(12(10)17)18-13(19)8-5-4-7(15(21)22)6-9(8)14(18)20/h1-6H,(H,21,22)
InChIKeyNIYITOBHYIPJJI-UHFFFAOYSA-N
MW336.13 g/mol
LogP3.49
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 761478) has the molecular formula C15H7Cl2NO4 and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID761478
Molecular FormulaC15H7Cl2NO4
Molecular Weight336.13 g/mol
Exact Mass334.98
IUPAC Name2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O
InChIInChI=1S/C15H7Cl2NO4/c16-10-2-1-3-11(12(10)17)18-13(19)8-5-4-7(15(21)22)6-9(8)14(18)20/h1-6H,(H,21,22)
InChIKeyNIYITOBHYIPJJI-UHFFFAOYSA-N
XLogP3.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 777395
2-(4-chloro-2,5-dimethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 983705
methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2336595
2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 139199918
[2-(3-nitrophenyl)-2-oxoethyl] 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1216472
2-[4-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-methylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 102007666
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
2-(4-chloro-2-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 23800567
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid
CID 151137388
2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 30106047
3-(2,3-dichlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770469

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 761478) is 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is NIYITOBHYIPJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2NO4/c16-10-2-1-3-11(12(10)17)18-13(19)8-5-4-7(15(21)22)6-9(8)14(18)20/h1-6H,(H,21,22).
What are the key properties of 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 336.13 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 761478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).