2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide

C17H14F2N4O2 — CID 111566187

IUPAC2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N4O2/c18-11-5-7-12(8-6-11)23-21-9-15(22-23)17(25)20-10-16(24)13-3-1-2-4-14(13)19/h1-9,16,24H,10H2,(H,20,25)
InChIKeySMFIHVBBXMNSEU-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide

2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide (PubChem CID 111566187) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
PubChem CID111566187
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14F2N4O2/c18-11-5-7-12(8-6-11)23-21-9-15(22-23)17(25)20-10-16(24)13-3-1-2-4-14(13)19/h1-9,16,24H,10H2,(H,20,25)
InChIKeySMFIHVBBXMNSEU-UHFFFAOYSA-N
XLogP2.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119447017
2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
CID 111485653
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 16677386
2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide
CID 146154734
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119535740
2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119512213
methyl 2-[[2-(4-fluorophenyl)triazole-4-carbonyl]-methylamino]benzoate
CID 99695986
2-(4-fluorophenyl)-N-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl]triazole-4-carboxamide
CID 175783171
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478350
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 111566193

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide (CID 111566187) is 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide is O=C(NCC(O)c1ccccc1F)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
The InChIKey is SMFIHVBBXMNSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-11-5-7-12(8-6-11)23-21-9-15(22-23)17(25)20-10-16(24)13-3-1-2-4-14(13)19/h1-9,16,24H,10H2,(H,20,25).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide is sourced from PubChem (CID 111566187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).