4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid

C₁₅H₉NO₄CAS 5383-82-4267.24 g/mol

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Amide Carboxylic acid Lactam

Properties

Molecular formula: C₁₅H₉NO₄
Molar mass: 267.24 g/mol
Exact mass: 267.0532 Da
logP: 2.19Crippen estimate
Polar surface area: 74.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5383-82-4

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

InChIKey

HBXCMGPWVGKNRS-UHFFFAOYSA-N

InChI

InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)

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Names and synonyms

1 names

N-(4-Carboxyphenyl)phthalimide

Work with 4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Phenylphthalimide520-03-661 % similar N-(4-Carboxyphenyl)maleimide17057-04-460 % similar 2-(4-Chlorophenyl)-1H-isoindole-1,3(2H)-dione7386-21-259 % similar 4,4',4''-Nitrilotribenzoic acid118996-38-656 % similar Terephthalic acid100-21-052 % similar Benzoic acid65-85-052 % similar 4′,4′′′,4′′′′′-Nitrilotris[[1,1′-biphenyl]-4-carboxylic acid]1239602-35-751 % similar 4-(Dimethylamino)benzoic acid619-84-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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