N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide

C20H18F4N4O3 — CID 122573022

IUPACN-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide
SMILESCOCc1nc(-c2ccc(OC(F)(F)F)cc2)nn1CC(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H18F4N4O3/c1-30-12-17-26-19(14-5-7-16(8-6-14)31-20(22,23)24)27-28(17)11-18(29)25-10-13-3-2-4-15(21)9-13/h2-9H,10-12H2,1H3,(H,25,29)
InChIKeyWFLJBFSXTXSVFY-UHFFFAOYSA-N
MW438.38 g/mol
LogP3.45
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide

N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide (PubChem CID 122573022) has the molecular formula C20H18F4N4O3 and a molecular weight of 438.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide
PubChem CID122573022
Molecular FormulaC20H18F4N4O3
Molecular Weight438.38 g/mol
Exact Mass438.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide
SMILESCOCc1nc(-c2ccc(OC(F)(F)F)cc2)nn1CC(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H18F4N4O3/c1-30-12-17-26-19(14-5-7-16(8-6-14)31-20(22,23)24)27-28(17)11-18(29)25-10-13-3-2-4-15(21)9-13/h2-9H,10-12H2,1H3,(H,25,29)
InChIKeyWFLJBFSXTXSVFY-UHFFFAOYSA-N
XLogP3.45
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]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 N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide (CID 122573022) is N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide is COCc1nc(-c2ccc(OC(F)(F)F)cc2)nn1CC(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide?
The InChIKey is WFLJBFSXTXSVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O3/c1-30-12-17-26-19(14-5-7-16(8-6-14)31-20(22,23)24)27-28(17)11-18(29)25-10-13-3-2-4-15(21)9-13/h2-9H,10-12H2,1H3,(H,25,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide has a molecular weight of 438.38 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[5-(methoxymethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 122573022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).