5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

C22H14F4N4O2 — CID 118710478

IUPAC5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3ccc(F)cc3)nn2)ccc1O
InChIInChI=1S/C22H14F4N4O2/c23-15-6-4-13(5-7-15)19-12-30(29-28-19)17-8-9-20(31)18(11-17)21(32)27-16-3-1-2-14(10-16)22(24,25)26/h1-12,31H,(H,27,32)
InChIKeyZOBRRDMBIBITQN-UHFFFAOYSA-N
MW442.37 g/mol
LogP5.05
Rot. Bonds4

About 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710478) has the molecular formula C22H14F4N4O2 and a molecular weight of 442.37 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710478
Molecular FormulaC22H14F4N4O2
Molecular Weight442.37 g/mol
Exact Mass442.11
IUPAC Name5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3ccc(F)cc3)nn2)ccc1O
InChIInChI=1S/C22H14F4N4O2/c23-15-6-4-13(5-7-15)19-12-30(29-28-19)17-8-9-20(31)18(11-17)21(32)27-16-3-1-2-14(10-16)22(24,25)26/h1-12,31H,(H,27,32)
InChIKeyZOBRRDMBIBITQN-UHFFFAOYSA-N
XLogP5.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.37
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3,5-dimethoxyphenyl)triazol-1-yl]-2-hydroxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 118710416
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22081571
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid;5-(2,4-difluorophenyl)-2-hydroxybenzoyl chloride;5-(2,4-difluorophenyl)-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157295394
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473
3,5-difluoro-N-[3-[1-(4-sulfamoylphenyl)triazol-4-yl]phenyl]benzamide
CID 172636377
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710478) is 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3ccc(F)cc3)nn2)ccc1O.
What is the InChIKey of 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZOBRRDMBIBITQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O2/c23-15-6-4-13(5-7-15)19-12-30(29-28-19)17-8-9-20(31)18(11-17)21(32)27-16-3-1-2-14(10-16)22(24,25)26/h1-12,31H,(H,27,32).
What are the key properties of 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 442.37 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).