1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide

C17H14F2N4O2 — CID 110922720

IUPAC1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C17H14F2N4O2/c18-12-3-1-11(2-4-12)16(24)9-20-17(25)15-10-23(22-21-15)14-7-5-13(19)6-8-14/h1-8,10,16,24H,9H2,(H,20,25)
InChIKeyBBOGTWVZSUGVSJ-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.01
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide

1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide (PubChem CID 110922720) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
PubChem CID110922720
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C17H14F2N4O2/c18-12-3-1-11(2-4-12)16(24)9-20-17(25)15-10-23(22-21-15)14-7-5-13(19)6-8-14/h1-8,10,16,24H,9H2,(H,20,25)
InChIKeyBBOGTWVZSUGVSJ-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

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Related Compounds

1-(4-fluorophenyl)-N-[(2R)-2-thiophen-3-ylpropyl]triazole-4-carboxamide
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N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
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1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
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N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
CID 110888994
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 86967190
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
N-[2-(4-fluorophenyl)-2-hydroxyethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 110899057
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
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2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide (CID 110922720) is 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide is O=C(NCC(O)c1ccc(F)cc1)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
The InChIKey is BBOGTWVZSUGVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c18-12-3-1-11(2-4-12)16(24)9-20-17(25)15-10-23(22-21-15)14-7-5-13(19)6-8-14/h1-8,10,16,24H,9H2,(H,20,25).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide?
1-(4-fluorophenyl)-N-[2-(4-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 1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide is sourced from PubChem (CID 110922720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).