3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide

C9H18FN3O — CID 156736805

IUPAC3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(F)C(N(C)C)C1
InChIInChI=1S/C9H18FN3O/c1-11(2)8-6-13(5-7(8)10)9(14)12(3)4/h7-8H,5-6H2,1-4H3
InChIKeyNJLKHPIVGDEELR-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.25
Rot. Bonds1

About 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide

3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 156736805) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID156736805
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(F)C(N(C)C)C1
InChIInChI=1S/C9H18FN3O/c1-11(2)8-6-13(5-7(8)10)9(14)12(3)4/h7-8H,5-6H2,1-4H3
InChIKeyNJLKHPIVGDEELR-UHFFFAOYSA-N
XLogP0.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide 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-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide (CID 156736805) is 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CC(F)C(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is NJLKHPIVGDEELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-11(2)8-6-13(5-7(8)10)9(14)12(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 203.26 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-fluoro-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 156736805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).