3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione

C12H11ClN2O3 — CID 16647775

IUPAC3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1CCO
InChIInChI=1S/C12H11ClN2O3/c13-8-1-3-9(4-2-8)14-10-7-11(17)15(5-6-16)12(10)18/h1-4,7,14,16H,5-6H2
InChIKeyDDUGZMYQXJLUSI-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.00
Rot. Bonds4

About 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 16647775) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID16647775
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1CCO
InChIInChI=1S/C12H11ClN2O3/c13-8-1-3-9(4-2-8)14-10-7-11(17)15(5-6-16)12(10)18/h1-4,7,14,16H,5-6H2
InChIKeyDDUGZMYQXJLUSI-UHFFFAOYSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.00
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

1-(2-hydroxyethyl)-3-(4-sulfanylanilino)pyrrole-2,5-dione
CID 168556665
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonic acid
CID 168556010
3-(3-bromo-4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556535
1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione
CID 168556530
3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 16647871
1-(2-hydroxyethyl)-3-(4-tritylanilino)pyrrole-2,5-dione
CID 168556758
3-[4-chloro-2-(hydroxymethyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559789
methyl 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 168555977
2-chloro-4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168556316
1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
1-(2-hydroxyethyl)-3-[4-(trifluoromethylsulfanyl)anilino]pyrrole-2,5-dione
CID 168559349

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 16647775) is 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione is O=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1CCO.
What is the InChIKey of 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is DDUGZMYQXJLUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-8-1-3-9(4-2-8)14-10-7-11(17)15(5-6-16)12(10)18/h1-4,7,14,16H,5-6H2.
What are the key properties of 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 266.68 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 16647775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).