N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

C20H19ClF4N4O3 — CID 137491613

IUPACN-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncn(-c4ccc(Cl)c(F)c4)n3)(C1)C2
InChIInChI=1S/C20H19ClF4N4O3/c21-14-2-1-11(3-15(14)22)29-10-26-17(28-29)18-7-19(8-18,9-18)27-16(30)6-31-12-4-13(5-12)32-20(23,24)25/h1-3,10,12-13H,4-9H2,(H,27,30)
InChIKeyVZWPOHIJTYAIRM-UHFFFAOYSA-N
MW474.84 g/mol
LogP3.43
Rot. Bonds7

About N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (PubChem CID 137491613) has the molecular formula C20H19ClF4N4O3 and a molecular weight of 474.84 g/mol. Its IUPAC name is N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound NameN-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
PubChem CID137491613
Molecular FormulaC20H19ClF4N4O3
Molecular Weight474.84 g/mol
Exact Mass474.11
IUPAC NameN-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncn(-c4ccc(Cl)c(F)c4)n3)(C1)C2
InChIInChI=1S/C20H19ClF4N4O3/c21-14-2-1-11(3-15(14)22)29-10-26-17(28-29)18-7-19(8-18,9-18)27-16(30)6-31-12-4-13(5-12)32-20(23,24)25/h1-3,10,12-13H,4-9H2,(H,27,30)
InChIKeyVZWPOHIJTYAIRM-UHFFFAOYSA-N
XLogP3.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide with MolForge

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Related Compounds

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491554
N-[3-[4-(4-chloro-2,3-difluorophenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 137480196
N-[3-[3-(4-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 137491559
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 155262052
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 155634440
2-(4-chloro-3-fluorophenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]triazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163279672
(2S,4R)-6-chloro-7-fluoro-4-hydroxy-N-[3-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 175728121
N-[3-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-2-[1-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 175700963
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491361
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
CID 139517471
2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
CID 139517499
N-[4-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
CID 167267344

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (CID 137491613) is N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncn(-c4ccc(Cl)c(F)c4)n3)(C1)C2.
What is the InChIKey of N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The InChIKey is VZWPOHIJTYAIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N4O3/c21-14-2-1-11(3-15(14)22)29-10-26-17(28-29)18-7-19(8-18,9-18)27-16(30)6-31-12-4-13(5-12)32-20(23,24)25/h1-3,10,12-13H,4-9H2,(H,27,30).
What are the key properties of N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide has a molecular weight of 474.84 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-chloro-3-fluorophenyl)-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 137491613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).