3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione

C15H19ClN2O3 — CID 60933364

IUPAC3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(Cl)ccc2OCC)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-3-7-18-14(19)9-12(15(18)20)17-11-8-10(16)5-6-13(11)21-4-2/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyCBEXQMGEGCCVQL-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.69
Rot. Bonds6

About 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione

3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione (PubChem CID 60933364) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione
PubChem CID60933364
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(Cl)ccc2OCC)C1=O
InChIInChI=1S/C15H19ClN2O3/c1-3-7-18-14(19)9-12(15(18)20)17-11-8-10(16)5-6-13(11)21-4-2/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyCBEXQMGEGCCVQL-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione (CID 60933364) is 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Nc2cc(Cl)ccc2OCC)C1=O.
What is the InChIKey of 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is CBEXQMGEGCCVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-3-7-18-14(19)9-12(15(18)20)17-11-8-10(16)5-6-13(11)21-4-2/h5-6,8,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione?
3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 310.78 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethoxyanilino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 60933364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).