N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide

C17H15FN4O2 — CID 109478348

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
SMILESO=C(NCC(O)c1ccccc1F)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C17H15FN4O2/c18-15-7-2-1-6-14(15)16(23)11-19-17(24)12-4-3-5-13(10-12)22-9-8-20-21-22/h1-10,16,23H,11H2,(H,19,24)
InChIKeyXKSSVDROPXBNFD-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide (PubChem CID 109478348) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
PubChem CID109478348
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
SMILESO=C(NCC(O)c1ccccc1F)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C17H15FN4O2/c18-15-7-2-1-6-14(15)16(23)11-19-17(24)12-4-3-5-13(10-12)22-9-8-20-21-22/h1-10,16,23H,11H2,(H,19,24)
InChIKeyXKSSVDROPXBNFD-UHFFFAOYSA-N
XLogP1.87
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide 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

N-[(2R)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816184
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816183
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide
CID 111565667
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111565611
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(triazol-1-yl)benzamide
CID 109481241
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111565594
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide (CID 109478348) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide is O=C(NCC(O)c1ccccc1F)c1cccc(-n2ccnn2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide?
The InChIKey is XKSSVDROPXBNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-15-7-2-1-6-14(15)16(23)11-19-17(24)12-4-3-5-13(10-12)22-9-8-20-21-22/h1-10,16,23H,11H2,(H,19,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide has a molecular weight of 326.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 109478348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).