1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione

C14H17ClN2O2 — CID 2840997

IUPAC1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
SMILESCCN(CC)C1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-3-16(4-2)12-9-13(18)17(14(12)19)11-7-5-6-10(15)8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyYWEWLRSYNNFWSA-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.31
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione (PubChem CID 2840997) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
PubChem CID2840997
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
SMILESCCN(CC)C1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-3-16(4-2)12-9-13(18)17(14(12)19)11-7-5-6-10(15)8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyYWEWLRSYNNFWSA-UHFFFAOYSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.31
H-Bond Donors ≤ 50
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-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione (CID 2840997) is 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione is CCN(CC)C1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
The InChIKey is YWEWLRSYNNFWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-16(4-2)12-9-13(18)17(14(12)19)11-7-5-6-10(15)8-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione has a molecular weight of 280.75 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2840997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).