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

C19H18N2O4 — CID 43827253

IUPAC4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCCN(c1ccccc1)C1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C19H18N2O4/c1-2-20(14-6-4-3-5-7-14)16-12-17(22)21(18(16)23)15-10-8-13(9-11-15)19(24)25/h3-11,16H,2,12H2,1H3,(H,24,25)
InChIKeyARICBCFORGLFRA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.54
Rot. Bonds5

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

4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (PubChem CID 43827253) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
PubChem CID43827253
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCCN(c1ccccc1)C1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O
InChIInChI=1S/C19H18N2O4/c1-2-20(14-6-4-3-5-7-14)16-12-17(22)21(18(16)23)15-10-8-13(9-11-15)19(24)25/h3-11,16H,2,12H2,1H3,(H,24,25)
InChIKeyARICBCFORGLFRA-UHFFFAOYSA-N
XLogP2.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827252
3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827280
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
4-[(3R)-3-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 51637766
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
4-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]benzoic acid
CID 2973798
4-[(3R)-2,5-dioxo-3-[(1S)-1-phenylethyl]pyrrolidin-1-yl]benzoic acid
CID 1250566
(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 931022
(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 7303465
N-cyclopropyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 23830942
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 662103

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The IUPAC name of 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (CID 43827253) is 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is CCN(c1ccccc1)C1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O.
What is the InChIKey of 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The InChIKey is ARICBCFORGLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-20(14-6-4-3-5-7-14)16-12-17(22)21(18(16)23)15-10-8-13(9-11-15)19(24)25/h3-11,16H,2,12H2,1H3,(H,24,25).
What are the key properties of 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid has a molecular weight of 338.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 43827253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).