4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide

C11H21FN2O — CID 21365802

IUPAC4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C1CC(F)CN1C
InChIInChI=1S/C11H21FN2O/c1-5-11(2,3)13-10(15)9-6-8(12)7-14(9)4/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKeyOCCADOPWXNMXRY-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.33
Rot. Bonds3

About 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide

4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 21365802) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID21365802
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C1CC(F)CN1C
InChIInChI=1S/C11H21FN2O/c1-5-11(2,3)13-10(15)9-6-8(12)7-14(9)4/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKeyOCCADOPWXNMXRY-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide (CID 21365802) is 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide is CCC(C)(C)NC(=O)C1CC(F)CN1C.
What is the InChIKey of 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is OCCADOPWXNMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-5-11(2,3)13-10(15)9-6-8(12)7-14(9)4/h8-9H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide?
4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 216.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 21365802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).