4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid

C22H13ClN2O6 — CID 46868655

IUPAC4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O
InChIInChI=1S/C22H13ClN2O6/c23-12-6-8-14(22(30)31)16(10-12)24-19(27)11-5-7-13-15(9-11)21(29)25(20(13)28)17-3-1-2-4-18(17)26/h1-10,26H,(H,24,27)(H,30,31)
InChIKeyYZCGUQOGRSEYPK-UHFFFAOYSA-N
MW436.81 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid

4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid (PubChem CID 46868655) has the molecular formula C22H13ClN2O6 and a molecular weight of 436.81 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
PubChem CID46868655
Molecular FormulaC22H13ClN2O6
Molecular Weight436.81 g/mol
Exact Mass436.05
IUPAC Name4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O
InChIInChI=1S/C22H13ClN2O6/c23-12-6-8-14(22(30)31)16(10-12)24-19(27)11-5-7-13-15(9-11)21(29)25(20(13)28)17-3-1-2-4-18(17)26/h1-10,26H,(H,24,27)(H,30,31)
InChIKeyYZCGUQOGRSEYPK-UHFFFAOYSA-N
XLogP3.80
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.81
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

4-chloro-2-[[1,3-dioxo-2-(2-phenylphenyl)isoindole-5-carbonyl]amino]benzoic acid
CID 2222743
4-chloro-2-[[2-[3-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 46866790
2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 777395
2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-chlorobenzoic acid
CID 155532441
4-chloro-2-[[1,3-dioxo-2-[(1S)-1-phenylethyl]isoindole-5-carbonyl]amino]benzoate
CID 6959433
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
2-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
CID 921374
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
methyl 3-[[2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-hydroxybenzoate
CID 108768103
2-(2-benzoyl-4-chlorophenyl)-5-[2-(2-benzoyl-4-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 3110126

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid (CID 46868655) is 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O.
What is the InChIKey of 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid?
The InChIKey is YZCGUQOGRSEYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2O6/c23-12-6-8-14(22(30)31)16(10-12)24-19(27)11-5-7-13-15(9-11)21(29)25(20(13)28)17-3-1-2-4-18(17)26/h1-10,26H,(H,24,27)(H,30,31).
What are the key properties of 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid?
4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid has a molecular weight of 436.81 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid is sourced from PubChem (CID 46868655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).