2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate

C15H20FN3O3 — CID 18564473

IUPAC2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCN(C)CCOC(=O)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O3/c1-18(2)7-8-22-15(21)17-12-9-14(20)19(10-12)13-5-3-11(16)4-6-13/h3-6,12H,7-10H2,1-2H3,(H,17,21)
InChIKeyFJMLOIPFYKUWJF-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.22
Rot. Bonds5

About 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate

2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 18564473) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
PubChem CID18564473
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCN(C)CCOC(=O)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O3/c1-18(2)7-8-22-15(21)17-12-9-14(20)19(10-12)13-5-3-11(16)4-6-13/h3-6,12H,7-10H2,1-2H3,(H,17,21)
InChIKeyFJMLOIPFYKUWJF-UHFFFAOYSA-N
XLogP1.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate (CID 18564473) is 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate is CN(C)CCOC(=O)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is FJMLOIPFYKUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-18(2)7-8-22-15(21)17-12-9-14(20)19(10-12)13-5-3-11(16)4-6-13/h3-6,12H,7-10H2,1-2H3,(H,17,21).
What are the key properties of 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate?
2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 309.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 18564473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).