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

C20H19ClN2O2 — CID 2791448

IUPAC3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H19ClN2O2/c21-17-18(22-13-11-15-7-3-1-4-8-15)20(25)23(19(17)24)14-12-16-9-5-2-6-10-16/h1-10,22H,11-14H2
InChIKeyUPRZLVZTSWIZEO-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.88
Rot. Bonds7

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

3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione (PubChem CID 2791448) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
PubChem CID2791448
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H19ClN2O2/c21-17-18(22-13-11-15-7-3-1-4-8-15)20(25)23(19(17)24)14-12-16-9-5-2-6-10-16/h1-10,22H,11-14H2
InChIKeyUPRZLVZTSWIZEO-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-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-chloro-4-(2-hydroxyanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724958
3-chloro-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724968
3-chloro-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 734947
ethyl 4-[[4-chloro-2,5-dioxo-1-(2-phenylethyl)pyrrol-3-yl]amino]benzoate
CID 1191571
1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione
CID 716965
3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594191
3-chloro-1-(2-phenylethyl)-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 1194929
4-[[4-chloro-2,5-dioxo-1-(2-phenylethyl)pyrrol-3-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 1194917
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(2-phenylethyl)pyrrole-2,5-dione
CID 4109246
2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
CID 173162332
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione (CID 2791448) is 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione is O=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
The InChIKey is UPRZLVZTSWIZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-18(22-13-11-15-7-3-1-4-8-15)20(25)23(19(17)24)14-12-16-9-5-2-6-10-16/h1-10,22H,11-14H2.
What are the key properties of 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione?
3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione has a molecular weight of 354.84 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 2791448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).