(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione

C18H16Cl2N2O2 — CID 51860372

IUPAC(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-11-3-6-13(7-4-11)21-15-10-17(23)22(18(15)24)16-8-5-12(19)9-14(16)20/h3-9,15,21H,2,10H2,1H3/t15-/m1/s1
InChIKeyDAQYJSQICGIPKG-OAHLLOKOSA-N
MW363.24 g/mol
LogP4.30
Rot. Bonds4

About (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione

(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione (PubChem CID 51860372) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione
PubChem CID51860372
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-2-11-3-6-13(7-4-11)21-15-10-17(23)22(18(15)24)16-8-5-12(19)9-14(16)20/h3-9,15,21H,2,10H2,1H3/t15-/m1/s1
InChIKeyDAQYJSQICGIPKG-OAHLLOKOSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione (CID 51860372) is (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione is CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The InChIKey is DAQYJSQICGIPKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-2-11-3-6-13(7-4-11)21-15-10-17(23)22(18(15)24)16-8-5-12(19)9-14(16)20/h3-9,15,21H,2,10H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione?
(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione has a molecular weight of 363.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).