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

C23H14F3N5O2 — CID 118710421

IUPAC5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)cc1
InChIInChI=1S/C23H14F3N5O2/c24-23(25,26)16-2-1-3-17(10-16)28-22(33)19-11-18(8-9-21(19)32)31-13-20(29-30-31)15-6-4-14(12-27)5-7-15/h1-11,13,32H,(H,28,33)
InChIKeyRLPINRPHYGIMFY-UHFFFAOYSA-N
MW449.39 g/mol
LogP4.78
Rot. Bonds4

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

5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710421) has the molecular formula C23H14F3N5O2 and a molecular weight of 449.39 g/mol. Its IUPAC name is 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710421
Molecular FormulaC23H14F3N5O2
Molecular Weight449.39 g/mol
Exact Mass449.11
IUPAC Name5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)cc1
InChIInChI=1S/C23H14F3N5O2/c24-23(25,26)16-2-1-3-17(10-16)28-22(33)19-11-18(8-9-21(19)32)31-13-20(29-30-31)15-6-4-14(12-27)5-7-15/h1-11,13,32H,(H,28,33)
InChIKeyRLPINRPHYGIMFY-UHFFFAOYSA-N
XLogP4.78
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710421) is 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is N#Cc1ccc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)cc1.
What is the InChIKey of 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RLPINRPHYGIMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O2/c24-23(25,26)16-2-1-3-17(10-16)28-22(33)19-11-18(8-9-21(19)32)31-13-20(29-30-31)15-6-4-14(12-27)5-7-15/h1-11,13,32H,(H,28,33).
What are the key properties of 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 449.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyanophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).