1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione

C20H26FN3O3 — CID 45178191

IUPAC1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCN(C)CCN1C(=O)CC(CC(=O)N2CCCC2)(c2cccc(F)c2)C1=O
InChIInChI=1S/C20H26FN3O3/c1-22(2)10-11-24-18(26)14-20(19(24)27,15-6-5-7-16(21)12-15)13-17(25)23-8-3-4-9-23/h5-7,12H,3-4,8-11,13-14H2,1-2H3
InChIKeyQOZXZJKQFUCLAP-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.40
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione

1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione (PubChem CID 45178191) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione
PubChem CID45178191
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCN(C)CCN1C(=O)CC(CC(=O)N2CCCC2)(c2cccc(F)c2)C1=O
InChIInChI=1S/C20H26FN3O3/c1-22(2)10-11-24-18(26)14-20(19(24)27,15-6-5-7-16(21)12-15)13-17(25)23-8-3-4-9-23/h5-7,12H,3-4,8-11,13-14H2,1-2H3
InChIKeyQOZXZJKQFUCLAP-UHFFFAOYSA-N
XLogP1.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione (CID 45178191) is 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione is CN(C)CCN1C(=O)CC(CC(=O)N2CCCC2)(c2cccc(F)c2)C1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is QOZXZJKQFUCLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-22(2)10-11-24-18(26)14-20(19(24)27,15-6-5-7-16(21)12-15)13-17(25)23-8-3-4-9-23/h5-7,12H,3-4,8-11,13-14H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione?
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 375.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 45178191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).