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

C18H16N2O4 — CID 43827280

IUPAC3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCN(c1ccccc1)C1CC(=O)N(c2cccc(C(=O)O)c2)C1=O
InChIInChI=1S/C18H16N2O4/c1-19(13-7-3-2-4-8-13)15-11-16(21)20(17(15)22)14-9-5-6-12(10-14)18(23)24/h2-10,15H,11H2,1H3,(H,23,24)
InChIKeyFEYYQWTYKBDSPF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.15
Rot. Bonds4

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

3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (PubChem CID 43827280) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
PubChem CID43827280
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
SMILESCN(c1ccccc1)C1CC(=O)N(c2cccc(C(=O)O)c2)C1=O
InChIInChI=1S/C18H16N2O4/c1-19(13-7-3-2-4-8-13)15-11-16(21)20(17(15)22)14-9-5-6-12(10-14)18(23)24/h2-10,15H,11H2,1H3,(H,23,24)
InChIKeyFEYYQWTYKBDSPF-UHFFFAOYSA-N
XLogP2.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.15
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-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 7026148
3-[(3R)-3-[methyl-[(4-methylcyclohexyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 99811832
4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827253
3-[3-(benzimidazol-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 5239203
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7394441
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 54918750
3-[2,5-dioxo-3-[N'-[(E)-1-phenylethylideneamino]carbamimidoyl]sulfanylpyrrolidin-1-yl]benzoic acid
CID 172981041
3-[3-(4-bromoanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43844269
3-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl)benzoic acid
CID 11836675
3-[3-[N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamimidoyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 172980689

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The IUPAC name of 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid (CID 43827280) is 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The canonical SMILES for 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is CN(c1ccccc1)C1CC(=O)N(c2cccc(C(=O)O)c2)C1=O.
What is the InChIKey of 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
The InChIKey is FEYYQWTYKBDSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-19(13-7-3-2-4-8-13)15-11-16(21)20(17(15)22)14-9-5-6-12(10-14)18(23)24/h2-10,15H,11H2,1H3,(H,23,24).
What are the key properties of 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid?
3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid has a molecular weight of 324.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid is sourced from PubChem (CID 43827280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).