N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

C20H21FN4O — CID 118962038

IUPACN-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H21FN4O/c1-14(2)17-7-3-15(4-8-17)11-20(26)23-19-12-22-25(24-19)13-16-5-9-18(21)10-6-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,24,26)
InChIKeyUWSCPBJCGUQQCH-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.77
Rot. Bonds6

About N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118962038) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118962038
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H21FN4O/c1-14(2)17-7-3-15(4-8-17)11-20(26)23-19-12-22-25(24-19)13-16-5-9-18(21)10-6-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,24,26)
InChIKeyUWSCPBJCGUQQCH-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)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-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 118962038) is N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is UWSCPBJCGUQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14(2)17-7-3-15(4-8-17)11-20(26)23-19-12-22-25(24-19)13-16-5-9-18(21)10-6-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,24,26).
What are the key properties of N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118962038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).