2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid

C18H14Cl2N2O4 — CID 43860803

IUPAC2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2C(=O)CC(Nc3c(Cl)cccc3Cl)C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O4/c19-12-2-1-3-13(20)17(12)21-14-9-15(23)22(18(14)26)11-6-4-10(5-7-11)8-16(24)25/h1-7,14,21H,8-9H2,(H,24,25)
InChIKeyBZEHUNDMURHQJJ-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.36
Rot. Bonds5

About 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid

2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid (PubChem CID 43860803) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
PubChem CID43860803
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2C(=O)CC(Nc3c(Cl)cccc3Cl)C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O4/c19-12-2-1-3-13(20)17(12)21-14-9-15(23)22(18(14)26)11-6-4-10(5-7-11)8-16(24)25/h1-7,14,21H,8-9H2,(H,24,25)
InChIKeyBZEHUNDMURHQJJ-UHFFFAOYSA-N
XLogP3.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4852443
2-[4-[3-(2-bromoanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43860790
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
5-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
CID 43860918
2-[4-[3-(2-hydroxy-4-nitroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43860776
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111
2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
4-[(3R)-3-(2,6-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523283
2-[4-[[1-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4855046
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid (CID 43860803) is 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid is O=C(O)Cc1ccc(N2C(=O)CC(Nc3c(Cl)cccc3Cl)C2=O)cc1.
What is the InChIKey of 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
The InChIKey is BZEHUNDMURHQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c19-12-2-1-3-13(20)17(12)21-14-9-15(23)22(18(14)26)11-6-4-10(5-7-11)8-16(24)25/h1-7,14,21H,8-9H2,(H,24,25).
What are the key properties of 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid?
2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid has a molecular weight of 393.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,6-dichloroanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 43860803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).