N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C11H18F2N2O3 — CID 104858303

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC(F)(F)CO)CC1=O
InChIInChI=1S/C11H18F2N2O3/c1-7(2)15-4-8(3-9(15)17)10(18)14-5-11(12,13)6-16/h7-8,16H,3-6H2,1-2H3,(H,14,18)
InChIKeyAELPDXDQFHVCCT-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.01
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 104858303) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID104858303
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC(F)(F)CO)CC1=O
InChIInChI=1S/C11H18F2N2O3/c1-7(2)15-4-8(3-9(15)17)10(18)14-5-11(12,13)6-16/h7-8,16H,3-6H2,1-2H3,(H,14,18)
InChIKeyAELPDXDQFHVCCT-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-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 N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 104858303) is N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCC(F)(F)CO)CC1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AELPDXDQFHVCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-7(2)15-4-8(3-9(15)17)10(18)14-5-11(12,13)6-16/h7-8,16H,3-6H2,1-2H3,(H,14,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 264.27 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 104858303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).