1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione

C14H16Cl2N2O2 — CID 25014797

IUPAC1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione
SMILESCCCC1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-3-6-14(2)8-12(19)18(13(14)20)17-11-5-4-9(15)7-10(11)16/h4-5,7,17H,3,6,8H2,1-2H3
InChIKeySIVBDMLEDCTNET-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.89
Rot. Bonds4

About 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione

1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione (PubChem CID 25014797) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione
PubChem CID25014797
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione
SMILESCCCC1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-3-6-14(2)8-12(19)18(13(14)20)17-11-5-4-9(15)7-10(11)16/h4-5,7,17H,3,6,8H2,1-2H3
InChIKeySIVBDMLEDCTNET-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.89
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 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione (CID 25014797) is 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione is CCCC1(C)CC(=O)N(Nc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione?
The InChIKey is SIVBDMLEDCTNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-3-6-14(2)8-12(19)18(13(14)20)17-11-5-4-9(15)7-10(11)16/h4-5,7,17H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione?
1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione has a molecular weight of 315.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 25014797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).