2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide

C18H18F4N2O2 — CID 70820581

IUPAC2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(F)(F)c1ccc(OCC(=O)NCc2ccc(C(C)(F)F)nc2)cc1
InChIInChI=1S/C18H18F4N2O2/c1-17(19,20)13-4-6-14(7-5-13)26-11-16(25)24-10-12-3-8-15(23-9-12)18(2,21)22/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKeyHVWADWUZHUHLTK-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.00
Rot. Bonds7

About 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide

2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 70820581) has the molecular formula C18H18F4N2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide
PubChem CID70820581
Molecular FormulaC18H18F4N2O2
Molecular Weight370.35 g/mol
Exact Mass370.13
IUPAC Name2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(F)(F)c1ccc(OCC(=O)NCc2ccc(C(C)(F)F)nc2)cc1
InChIInChI=1S/C18H18F4N2O2/c1-17(19,20)13-4-6-14(7-5-13)26-11-16(25)24-10-12-3-8-15(23-9-12)18(2,21)22/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKeyHVWADWUZHUHLTK-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide 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-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
2-(4-tert-butylphenoxy)-N-[[4-(carbamoylamino)phenyl]methyl]acetamide
CID 55509327
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide (CID 70820581) is 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide is CC(F)(F)c1ccc(OCC(=O)NCc2ccc(C(C)(F)F)nc2)cc1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is HVWADWUZHUHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O2/c1-17(19,20)13-4-6-14(7-5-13)26-11-16(25)24-10-12-3-8-15(23-9-12)18(2,21)22/h3-9H,10-11H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide?
2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 370.35 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)phenoxy]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 70820581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).