3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide

C12H20F2N2O — CID 114226524

IUPAC3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCC1CCCN1)C1CCC(F)(F)C1
InChIInChI=1S/C12H20F2N2O/c13-12(14)5-3-9(8-12)11(17)16-7-4-10-2-1-6-15-10/h9-10,15H,1-8H2,(H,16,17)
InChIKeyHXFDEAJYRNQBOJ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.68
Rot. Bonds4

About 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide

3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide (PubChem CID 114226524) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide
PubChem CID114226524
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide
SMILESO=C(NCCC1CCCN1)C1CCC(F)(F)C1
InChIInChI=1S/C12H20F2N2O/c13-12(14)5-3-9(8-12)11(17)16-7-4-10-2-1-6-15-10/h9-10,15H,1-8H2,(H,16,17)
InChIKeyHXFDEAJYRNQBOJ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-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 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide (CID 114226524) is 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide is O=C(NCCC1CCCN1)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is HXFDEAJYRNQBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c13-12(14)5-3-9(8-12)11(17)16-7-4-10-2-1-6-15-10/h9-10,15H,1-8H2,(H,16,17).
What are the key properties of 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide?
3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 246.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114226524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).