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

C18H15ClN2O2 — CID 16647871

IUPAC3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c19-14-6-8-15(9-7-14)20-16-12-17(22)21(18(16)23)11-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2
InChIKeyQSZVAUBTDFWEES-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.25
Rot. Bonds5

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

3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 16647871) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID16647871
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c19-14-6-8-15(9-7-14)20-16-12-17(22)21(18(16)23)11-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2
InChIKeyQSZVAUBTDFWEES-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichloro-4-methylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 165019801
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
1-(2-hydroxyethyl)-3-[4-(3-phenylpropoxy)anilino]pyrrole-2,5-dione
CID 168560103
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 168560843
1-benzyl-3-(4-ethoxyanilino)pyrrole-2,5-dione
CID 16647792
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
1-(2-hydroxyethyl)-3-(4-tritylanilino)pyrrole-2,5-dione
CID 168556758
1-benzyl-3-(3,5-dimethylanilino)pyrrole-2,5-dione
CID 16647809
3-(2-bromo-4-nitroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 16647887
3-chloro-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724968
4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrol-3-yl]amino]benzoic acid
CID 16647957
N-[2-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]ethyl]acetamide
CID 168557400

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 16647871) is 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is O=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is QSZVAUBTDFWEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-6-8-15(9-7-14)20-16-12-17(22)21(18(16)23)11-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2.
What are the key properties of 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 326.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 16647871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).