2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid

C18H16N2O5 — CID 43826781

IUPAC2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCc1ccccc1NC1CC(=O)N(c2ccc(C(=O)O)c(O)c2)C1=O
InChIInChI=1S/C18H16N2O5/c1-10-4-2-3-5-13(10)19-14-9-16(22)20(17(14)23)11-6-7-12(18(24)25)15(21)8-11/h2-8,14,19,21H,9H2,1H3,(H,24,25)
InChIKeyMFLQWXXYNYWUIW-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.14
Rot. Bonds4

About 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid

2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (PubChem CID 43826781) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
PubChem CID43826781
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCc1ccccc1NC1CC(=O)N(c2ccc(C(=O)O)c(O)c2)C1=O
InChIInChI=1S/C18H16N2O5/c1-10-4-2-3-5-13(10)19-14-9-16(22)20(17(14)23)11-6-7-12(18(24)25)15(21)8-11/h2-8,14,19,21H,9H2,1H3,(H,24,25)
InChIKeyMFLQWXXYNYWUIW-UHFFFAOYSA-N
XLogP2.14
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826786
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43826788
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
4-methyl-3-[(3R)-3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523325
3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
3-[3-(4-hydroxy-2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827270
3-(2,3-dimethylanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 43827326
5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43860920
(3S)-3-(2,3-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 93235170
4-[3-(2,4-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827244

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The IUPAC name of 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (CID 43826781) is 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is Cc1ccccc1NC1CC(=O)N(c2ccc(C(=O)O)c(O)c2)C1=O.
What is the InChIKey of 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The InChIKey is MFLQWXXYNYWUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-10-4-2-3-5-13(10)19-14-9-16(22)20(17(14)23)11-6-7-12(18(24)25)15(21)8-11/h2-8,14,19,21H,9H2,1H3,(H,24,25).
What are the key properties of 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid has a molecular weight of 340.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 43826781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).