N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide

C20H19F3N4O3 — CID 1029240

IUPACN-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide
SMILESCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)COC)cc2)n1
InChIInChI=1S/C20H19F3N4O3/c1-3-30-19-25-18(13-4-6-14(7-5-13)20(21,22)23)27(26-19)16-10-8-15(9-11-16)24-17(28)12-29-2/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKeyDZGYAACAVZQBIO-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.94
Rot. Bonds7

About N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide

N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide (PubChem CID 1029240) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide
PubChem CID1029240
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide
SMILESCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)COC)cc2)n1
InChIInChI=1S/C20H19F3N4O3/c1-3-30-19-25-18(13-4-6-14(7-5-13)20(21,22)23)27(26-19)16-10-8-15(9-11-16)24-17(28)12-29-2/h4-11H,3,12H2,1-2H3,(H,24,28)
InChIKeyDZGYAACAVZQBIO-UHFFFAOYSA-N
XLogP3.94
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide 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 N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide (CID 1029240) is N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide is CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)COC)cc2)n1.
What is the InChIKey of N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide?
The InChIKey is DZGYAACAVZQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-3-30-19-25-18(13-4-6-14(7-5-13)20(21,22)23)27(26-19)16-10-8-15(9-11-16)24-17(28)12-29-2/h4-11H,3,12H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide?
N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide has a molecular weight of 420.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-ethoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 1029240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).