5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid

C17H11Cl3N2O5 — CID 43860920

IUPAC5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)CC(Nc3cc(Cl)c(Cl)cc3Cl)C2=O)ccc1O
InChIInChI=1S/C17H11Cl3N2O5/c18-9-4-11(20)12(5-10(9)19)21-13-6-15(24)22(16(13)25)7-1-2-14(23)8(3-7)17(26)27/h1-5,13,21,23H,6H2,(H,26,27)
InChIKeyMAZPTCWGJFHJCT-UHFFFAOYSA-N
MW429.64 g/mol
LogP3.79
Rot. Bonds4

About 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid

5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid (PubChem CID 43860920) has the molecular formula C17H11Cl3N2O5 and a molecular weight of 429.64 g/mol. Its IUPAC name is 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid
PubChem CID43860920
Molecular FormulaC17H11Cl3N2O5
Molecular Weight429.64 g/mol
Exact Mass427.97
IUPAC Name5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)CC(Nc3cc(Cl)c(Cl)cc3Cl)C2=O)ccc1O
InChIInChI=1S/C17H11Cl3N2O5/c18-9-4-11(20)12(5-10(9)19)21-13-6-15(24)22(16(13)25)7-1-2-14(23)8(3-7)17(26)27/h1-5,13,21,23H,6H2,(H,26,27)
InChIKeyMAZPTCWGJFHJCT-UHFFFAOYSA-N
XLogP3.79
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.64
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43860918
2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826786
2-hydroxy-4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826781
1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844934
5-[3-(4-chloro-2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid
CID 43860997
3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 43844937
4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43826788
3-[3-(2-hydroxy-5-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827269
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
4-[3-[4-chloro-2-(trifluoromethyl)anilino]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43860705
4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413
5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43861099

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid (CID 43860920) is 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid is O=C(O)c1cc(N2C(=O)CC(Nc3cc(Cl)c(Cl)cc3Cl)C2=O)ccc1O.
What is the InChIKey of 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid?
The InChIKey is MAZPTCWGJFHJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O5/c18-9-4-11(20)12(5-10(9)19)21-13-6-15(24)22(16(13)25)7-1-2-14(23)8(3-7)17(26)27/h1-5,13,21,23H,6H2,(H,26,27).
What are the key properties of 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid?
5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid has a molecular weight of 429.64 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-dioxo-3-(2,4,5-trichloroanilino)pyrrolidin-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 43860920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).