N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide

C16H16F2N2O5 — CID 175811413

IUPACN-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
SMILESCC(=O)NC12CC(NC(=O)COc3ccc4c(c3)OC(F)(F)O4)(C1)C2
InChIInChI=1S/C16H16F2N2O5/c1-9(21)19-14-6-15(7-14,8-14)20-13(22)5-23-10-2-3-11-12(4-10)25-16(17,18)24-11/h2-4H,5-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyFFLLJHRFNITBOM-UHFFFAOYSA-N
MW354.31 g/mol
LogP1.31
Rot. Bonds5

About N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide

N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide (PubChem CID 175811413) has the molecular formula C16H16F2N2O5 and a molecular weight of 354.31 g/mol. Its IUPAC name is N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
PubChem CID175811413
Molecular FormulaC16H16F2N2O5
Molecular Weight354.31 g/mol
Exact Mass354.10
IUPAC NameN-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
SMILESCC(=O)NC12CC(NC(=O)COc3ccc4c(c3)OC(F)(F)O4)(C1)C2
InChIInChI=1S/C16H16F2N2O5/c1-9(21)19-14-6-15(7-14,8-14)20-13(22)5-23-10-2-3-11-12(4-10)25-16(17,18)24-11/h2-4H,5-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyFFLLJHRFNITBOM-UHFFFAOYSA-N
XLogP1.31
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]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

[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 138610777
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[1-ethyl-3-methyl-3-(methylamino)cyclobutyl]acetamide
CID 145398566
3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-N-[5-(trifluoromethoxy)-2-pyridinyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154698458
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 155092836
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
CID 142585515
N-[3-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyridine-4-carboxamide
CID 159085178
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-fluorophenoxy)acetamide
CID 7817876
2-(3,4-dichlorophenoxy)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 7751375
N-[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]but-3-enyl]-2-(3,4-difluorophenoxy)acetamide
CID 138632388
(2R,4R)-6-chloro-N-[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155256995
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]-N-[(2S)-2-hydroxy-4-[[2-(2-methoxypyrimidin-5-yl)oxyacetyl]amino]-1-bicyclo[3.1.1]hept-4-enyl]acetamide
CID 155303426
(2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide
CID 155256828

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide?
The IUPAC name of N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide (CID 175811413) is N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide.
What is the SMILES notation for N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide?
The canonical SMILES for N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide is CC(=O)NC12CC(NC(=O)COc3ccc4c(c3)OC(F)(F)O4)(C1)C2.
What is the InChIKey of N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide?
The InChIKey is FFLLJHRFNITBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O5/c1-9(21)19-14-6-15(7-14,8-14)20-13(22)5-23-10-2-3-11-12(4-10)25-16(17,18)24-11/h2-4H,5-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide?
N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide has a molecular weight of 354.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-1-bicyclo[1.1.1]pentanyl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide is sourced from PubChem (CID 175811413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).