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

C23H17F3N4O2 — CID 118710476

IUPAC2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)c1
InChIInChI=1S/C23H17F3N4O2/c1-14-4-2-5-15(10-14)20-13-30(29-28-20)18-8-9-21(31)19(12-18)22(32)27-17-7-3-6-16(11-17)23(24,25)26/h2-13,31H,1H3,(H,27,32)
InChIKeyULYHOTNHXDNDAI-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.22
Rot. Bonds4

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

2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710476) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710476
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)c1
InChIInChI=1S/C23H17F3N4O2/c1-14-4-2-5-15(10-14)20-13-30(29-28-20)18-8-9-21(31)19(12-18)22(32)27-17-7-3-6-16(11-17)23(24,25)26/h2-13,31H,1H3,(H,27,32)
InChIKeyULYHOTNHXDNDAI-UHFFFAOYSA-N
XLogP5.22
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710476) is 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1cccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)c1.
What is the InChIKey of 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ULYHOTNHXDNDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-14-4-2-5-15(10-14)20-13-30(29-28-20)18-8-9-21(31)19(12-18)22(32)27-17-7-3-6-16(11-17)23(24,25)26/h2-13,31H,1H3,(H,27,32).
What are the key properties of 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 438.41 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).