2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C23H24ClF3N4O2 — CID 58011722

IUPAC2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)Cn1c(-c2ccccc2Cl)nn(CC(=O)NC(C)c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C23H24ClF3N4O2/c1-14(2)12-30-21(18-9-4-5-10-19(18)24)29-31(22(30)33)13-20(32)28-15(3)16-7-6-8-17(11-16)23(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H,28,32)
InChIKeyARIVYMRAWUOJRH-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.92
Rot. Bonds7

About 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 58011722) has the molecular formula C23H24ClF3N4O2 and a molecular weight of 480.92 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID58011722
Molecular FormulaC23H24ClF3N4O2
Molecular Weight480.92 g/mol
Exact Mass480.15
IUPAC Name2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)Cn1c(-c2ccccc2Cl)nn(CC(=O)NC(C)c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C23H24ClF3N4O2/c1-14(2)12-30-21(18-9-4-5-10-19(18)24)29-31(22(30)33)13-20(32)28-15(3)16-7-6-8-17(11-16)23(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H,28,32)
InChIKeyARIVYMRAWUOJRH-UHFFFAOYSA-N
XLogP4.92
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 58011722) is 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(C)Cn1c(-c2ccccc2Cl)nn(CC(=O)NC(C)c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is ARIVYMRAWUOJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O2/c1-14(2)12-30-21(18-9-4-5-10-19(18)24)29-31(22(30)33)13-20(32)28-15(3)16-7-6-8-17(11-16)23(25,26)27/h4-11,14-15H,12-13H2,1-3H3,(H,28,32).
What are the key properties of 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 480.92 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58011722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).