N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide

C12H20FNO — CID 167333833

IUPACN-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC12CCC(F)(CC1)CC2
InChIInChI=1S/C12H20FNO/c1-9(2)10(15)14-12-6-3-11(13,4-7-12)5-8-12/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyBRCLNAZNSQCWCD-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.57
Rot. Bonds2

About N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide

N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide (PubChem CID 167333833) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide
PubChem CID167333833
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC NameN-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC12CCC(F)(CC1)CC2
InChIInChI=1S/C12H20FNO/c1-9(2)10(15)14-12-6-3-11(13,4-7-12)5-8-12/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyBRCLNAZNSQCWCD-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide 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-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide?
The IUPAC name of N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide (CID 167333833) is N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide?
The canonical SMILES for N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide is CC(C)C(=O)NC12CCC(F)(CC1)CC2.
What is the InChIKey of N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide?
The InChIKey is BRCLNAZNSQCWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-9(2)10(15)14-12-6-3-11(13,4-7-12)5-8-12/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide?
N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide has a molecular weight of 213.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-methylpropanamide is sourced from PubChem (CID 167333833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).