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

C19H14F6N4O2 — CID 70687563

IUPACN-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C19H14F6N4O2/c1-11(31-14-4-2-3-12(7-14)18(20,21)22)17(30)28-15-8-13(19(23,24)25)5-6-16(15)29-10-26-9-27-29/h2-11H,1H3,(H,28,30)
InChIKeyZFRGUTJRPQGCON-UHFFFAOYSA-N
MW444.34 g/mol
LogP4.71
Rot. Bonds5

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

N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide (PubChem CID 70687563) has the molecular formula C19H14F6N4O2 and a molecular weight of 444.34 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
PubChem CID70687563
Molecular FormulaC19H14F6N4O2
Molecular Weight444.34 g/mol
Exact Mass444.10
IUPAC NameN-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C19H14F6N4O2/c1-11(31-14-4-2-3-12(7-14)18(20,21)22)17(30)28-15-8-13(19(23,24)25)5-6-16(15)29-10-26-9-27-29/h2-11H,1H3,(H,28,30)
InChIKeyZFRGUTJRPQGCON-UHFFFAOYSA-N
XLogP4.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide 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-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide (CID 70687563) is N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide is CC(Oc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is ZFRGUTJRPQGCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O2/c1-11(31-14-4-2-3-12(7-14)18(20,21)22)17(30)28-15-8-13(19(23,24)25)5-6-16(15)29-10-26-9-27-29/h2-11H,1H3,(H,28,30).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 444.34 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 70687563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).