2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C21H24ClN3O4 — CID 139517637

IUPAC2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC1(OCC(=O)NC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)CC(C#N)C1
InChIInChI=1S/C21H24ClN3O4/c1-19(6-14(7-19)8-23)29-10-18(27)25-21-11-20(12-21,13-21)24-17(26)9-28-16-4-2-15(22)3-5-16/h2-5,14H,6-7,9-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyZZFSJOQPKHZYBT-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.34
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 139517637) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID139517637
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCC1(OCC(=O)NC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)CC(C#N)C1
InChIInChI=1S/C21H24ClN3O4/c1-19(6-14(7-19)8-23)29-10-18(27)25-21-11-20(12-21,13-21)24-17(26)9-28-16-4-2-15(22)3-5-16/h2-5,14H,6-7,9-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyZZFSJOQPKHZYBT-UHFFFAOYSA-N
XLogP2.34
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Related Compounds

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3-methylcyclobutyl)oxyacetamide
CID 139517468
2-(4-chlorophenoxy)-N-[3-[[2-(3-methylbutan-2-yloxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137380538
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[methyl(propyl)amino]acetamide
CID 137380477
3-[3-[[2-(4-chlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methylpropanamide
CID 160534031
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
2-(4-chlorophenoxy)-N-[3-[4-(4-methylphenoxy)butanoyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159936624
1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide
CID 142490432
2-[[(2S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]amino]-N-methylacetamide
CID 137399645
2-(4-chlorophenoxy)-N-(2-cyanocyclopentyl)acetamide
CID 62962340
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
CID 155303217
2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154979227

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 139517637) is 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is CC1(OCC(=O)NC23CC(NC(=O)COc4ccc(Cl)cc4)(C2)C3)CC(C#N)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is ZZFSJOQPKHZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-19(6-14(7-19)8-23)29-10-18(27)25-21-11-20(12-21,13-21)24-17(26)9-28-16-4-2-15(22)3-5-16/h2-5,14H,6-7,9-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 417.89 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[[2-(3-cyano-1-methylcyclobutyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 139517637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).