3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione

C18H15ClN2O2 — CID 110599287

IUPAC3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H15ClN2O2/c1-2-21-17(22)15(12-8-10-13(19)11-9-12)16(18(21)23)20-14-6-4-3-5-7-14/h3-11,20H,2H2,1H3
InChIKeyHLLXCVNRJJUHHX-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.55
Rot. Bonds4

About 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione

3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione (PubChem CID 110599287) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
PubChem CID110599287
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H15ClN2O2/c1-2-21-17(22)15(12-8-10-13(19)11-9-12)16(18(21)23)20-14-6-4-3-5-7-14/h3-11,20H,2H2,1H3
InChIKeyHLLXCVNRJJUHHX-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-anilino-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586261
3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599440
1-ethyl-3-(4-fluoroanilino)-4-phenylpyrrole-2,5-dione
CID 110594516
3-(4-chlorophenyl)-1-ethyl-4-[4-(4-methylpiperazin-1-yl)anilino]pyrrole-2,5-dione
CID 110599265
1-benzyl-3-(4-chlorophenyl)-4-(3-ethoxyanilino)pyrrole-2,5-dione
CID 110599210
1-[(4-chlorophenyl)methyl]-3-(4-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594259
3-(3,4-dimethylanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594524
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110559442
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599750
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione (CID 110599287) is 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione is CCN1C(=O)C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
The InChIKey is HLLXCVNRJJUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-21-17(22)15(12-8-10-13(19)11-9-12)16(18(21)23)20-14-6-4-3-5-7-14/h3-11,20H,2H2,1H3.
What are the key properties of 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione?
3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione has a molecular weight of 326.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 110599287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).