N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide

C18H17FN4O — CID 122441059

IUPACN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C18H17FN4O/c19-16-9-6-15(7-10-16)12-23-13-17(21-22-23)20-18(24)11-8-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11-12H2,(H,20,24)
InChIKeyAIRJENQUIFYXPV-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.04
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide

N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide (PubChem CID 122441059) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide
PubChem CID122441059
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C18H17FN4O/c19-16-9-6-15(7-10-16)12-23-13-17(21-22-23)20-18(24)11-8-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11-12H2,(H,20,24)
InChIKeyAIRJENQUIFYXPV-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide 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-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide (CID 122441059) is N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
The InChIKey is AIRJENQUIFYXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-16-9-6-15(7-10-16)12-23-13-17(21-22-23)20-18(24)11-8-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11-12H2,(H,20,24).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide?
N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide has a molecular weight of 324.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 122441059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).