3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid

C15H7Cl2NO4 — CID 131107493

IUPAC3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H7Cl2NO4/c16-7-5-10(15(21)22)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,(H,21,22)
InChIKeyCDISOAJCUNSIBL-UHFFFAOYSA-N
MW336.13 g/mol
LogP3.49
Rot. Bonds2

About 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid

3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid (PubChem CID 131107493) has the molecular formula C15H7Cl2NO4 and a molecular weight of 336.13 g/mol. Its IUPAC name is 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid
PubChem CID131107493
Molecular FormulaC15H7Cl2NO4
Molecular Weight336.13 g/mol
Exact Mass334.98
IUPAC Name3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H7Cl2NO4/c16-7-5-10(15(21)22)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,(H,21,22)
InChIKeyCDISOAJCUNSIBL-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-(1,3-dioxoisoindol-2-yl)-5-iodo-3-methylbenzoic acid
CID 168517368
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396
4-(1,3-dioxoisoindol-2-yl)phthalic acid
CID 168515933
2-(azepan-1-yl)-3,5-dichlorobenzoic acid
CID 79687478
[2,4-dichloro-5-(1,3-dioxoisoindol-2-yl)phenyl]boronic acid
CID 168517976
2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
CID 61406083
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
2-bromo-5-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 115296034
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
3,5-dichloro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 79686946
3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519790
2-(4-chloro-2,6-dimethylphenyl)-1,3-dioxoisoindole-4-carbonyl chloride
CID 88707613

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid?
The IUPAC name of 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid (CID 131107493) is 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid?
The canonical SMILES for 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid?
The InChIKey is CDISOAJCUNSIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2NO4/c16-7-5-10(15(21)22)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,(H,21,22).
What are the key properties of 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid?
3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic 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 3,5-dichloro-2-(1,3-dioxoisoindol-2-yl)benzoic acid is sourced from PubChem (CID 131107493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).