2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide

C11H20F2N2O — CID 163806507

IUPAC2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide
SMILESCCN1CC(CC(=O)NC(C)C)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O/c1-4-15-6-9(11(12,13)7-15)5-10(16)14-8(2)3/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyNJMPTCGCNWZQAK-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.49
Rot. Bonds4

About 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide

2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 163806507) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide
PubChem CID163806507
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide
SMILESCCN1CC(CC(=O)NC(C)C)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O/c1-4-15-6-9(11(12,13)7-15)5-10(16)14-8(2)3/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyNJMPTCGCNWZQAK-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylazetidin-3-yl)-N-propan-2-ylacetamide
CID 135224952
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
difluoromethane;(1-ethylazetidin-3-yl) 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;(1-ethyl-4,4-difluoropyrrolidin-3-yl) N-propan-2-ylcarbamate;molecular hydrogen;propane
CID 170606941
2-[(1-ethylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43400021
(3aS,6aS)-2-ethyl-3a-N,3a-N-dimethyl-1-N'-propan-2-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide
CID 97439454
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 129257459
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-[4-ethyl-7-methyl-10-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122577878
3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide
CID 137474317
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide (CID 163806507) is 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide is CCN1CC(CC(=O)NC(C)C)C(F)(F)C1.
What is the InChIKey of 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is NJMPTCGCNWZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-4-15-6-9(11(12,13)7-15)5-10(16)14-8(2)3/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide?
2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 234.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 163806507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).