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

C18H16N2O5 — CID 43827237

IUPAC4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCOc1cccc(NC2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c1
InChIInChI=1S/C18H16N2O5/c1-25-14-4-2-3-12(9-14)19-15-10-16(21)20(17(15)22)13-7-5-11(6-8-13)18(23)24/h2-9,15,19H,10H2,1H3,(H,23,24)
InChIKeyZHCBUJHUZWCGDX-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.14
Rot. Bonds5

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

4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (PubChem CID 43827237) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
PubChem CID43827237
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCOc1cccc(NC2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c1
InChIInChI=1S/C18H16N2O5/c1-25-14-4-2-3-12(9-14)19-15-10-16(21)20(17(15)22)13-7-5-11(6-8-13)18(23)24/h2-9,15,19H,10H2,1H3,(H,23,24)
InChIKeyZHCBUJHUZWCGDX-UHFFFAOYSA-N
XLogP2.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(3-methoxyanilino)-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

4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
4-[(3S)-3-[N-(3-methoxyphenyl)-N'-methylcarbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 6342181
4-[(3R)-3-(2,6-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523283
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 51860142
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
3-[(3S)-3-(2,4-dimethoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 93235150
4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The IUPAC name of 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (CID 43827237) is 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is COc1cccc(NC2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c1.
What is the InChIKey of 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The InChIKey is ZHCBUJHUZWCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-25-14-4-2-3-12(9-14)19-15-10-16(21)20(17(15)22)13-7-5-11(6-8-13)18(23)24/h2-9,15,19H,10H2,1H3,(H,23,24).
What are the key properties of 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid has a molecular weight of 340.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 43827237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).