3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide

C13H26FN3O — CID 158561696

IUPAC3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CC(F)C(N(C)C(C)C)C1
InChIInChI=1S/C13H26FN3O/c1-9(2)15(5)12-8-17(7-11(12)14)13(18)16(6)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyCHYKTMBLZZSZJD-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.81
Rot. Bonds3

About 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide

3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 158561696) has the molecular formula C13H26FN3O and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID158561696
Molecular FormulaC13H26FN3O
Molecular Weight259.37 g/mol
Exact Mass259.21
IUPAC Name3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CC(F)C(N(C)C(C)C)C1
InChIInChI=1S/C13H26FN3O/c1-9(2)15(5)12-8-17(7-11(12)14)13(18)16(6)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyCHYKTMBLZZSZJD-UHFFFAOYSA-N
XLogP1.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 158561696) is 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)N(C)C(=O)N1CC(F)C(N(C)C(C)C)C1.
What is the InChIKey of 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is CHYKTMBLZZSZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3O/c1-9(2)15(5)12-8-17(7-11(12)14)13(18)16(6)10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide?
3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[methyl(propan-2-yl)amino]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 158561696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).