4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid

C18H16N2O4 — CID 100830492

IUPAC4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid
SMILESCOc1ccc(N2CC(Nc3ccc(C(=O)O)cc3)=CC2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-24-16-8-6-15(7-9-16)20-11-14(10-17(20)21)19-13-4-2-12(3-5-13)18(22)23/h2-10,19H,11H2,1H3,(H,22,23)
InChIKeyDOJYGEVSCZUSHR-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.74
Rot. Bonds5

About 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid

4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid (PubChem CID 100830492) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid
PubChem CID100830492
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid
SMILESCOc1ccc(N2CC(Nc3ccc(C(=O)O)cc3)=CC2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-24-16-8-6-15(7-9-16)20-11-14(10-17(20)21)19-13-4-2-12(3-5-13)18(22)23/h2-10,19H,11H2,1H3,(H,22,23)
InChIKeyDOJYGEVSCZUSHR-UHFFFAOYSA-N
XLogP2.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]benzoic acid
CID 54600184
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid?
The IUPAC name of 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid (CID 100830492) is 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid is COc1ccc(N2CC(Nc3ccc(C(=O)O)cc3)=CC2=O)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid?
The InChIKey is DOJYGEVSCZUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-16-8-6-15(7-9-16)20-11-14(10-17(20)21)19-13-4-2-12(3-5-13)18(22)23/h2-10,19H,11H2,1H3,(H,22,23).
What are the key properties of 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid?
4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid has a molecular weight of 324.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)-5-oxo-2H-pyrrol-3-yl]amino]benzoic acid is sourced from PubChem (CID 100830492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).