2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C21H20F6N4O3 — CID 137491554

IUPAC2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncn(-c4ccc(C(F)(F)F)cc4)n3)(C1)C2
InChIInChI=1S/C21H20F6N4O3/c22-20(23,24)12-1-3-13(4-2-12)31-11-28-17(30-31)18-8-19(9-18,10-18)29-16(32)7-33-14-5-15(6-14)34-21(25,26)27/h1-4,11,14-15H,5-10H2,(H,29,32)
InChIKeyXMZBUISLASIELF-UHFFFAOYSA-N
MW490.40 g/mol
LogP3.66
Rot. Bonds7

About 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491554) has the molecular formula C21H20F6N4O3 and a molecular weight of 490.40 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID137491554
Molecular FormulaC21H20F6N4O3
Molecular Weight490.40 g/mol
Exact Mass490.14
IUPAC Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncn(-c4ccc(C(F)(F)F)cc4)n3)(C1)C2
InChIInChI=1S/C21H20F6N4O3/c22-20(23,24)12-1-3-13(4-2-12)31-11-28-17(30-31)18-8-19(9-18,10-18)29-16(32)7-33-14-5-15(6-14)34-21(25,26)27/h1-4,11,14-15H,5-10H2,(H,29,32)
InChIKeyXMZBUISLASIELF-UHFFFAOYSA-N
XLogP3.66
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide 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 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 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) is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3ncn(-c4ccc(C(F)(F)F)cc4)n3)(C1)C2.
What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is XMZBUISLASIELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N4O3/c22-20(23,24)12-1-3-13(4-2-12)31-11-28-17(30-31)18-8-19(9-18,10-18)29-16(32)7-33-14-5-15(6-14)34-21(25,26)27/h1-4,11,14-15H,5-10H2,(H,29,32).
What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 490.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).