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

C21H14F3N5O2 — CID 118710479

IUPAC2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3cccnc3)nn2)ccc1O
InChIInChI=1S/C21H14F3N5O2/c22-21(23,24)14-4-1-5-15(9-14)26-20(31)17-10-16(6-7-19(17)30)29-12-18(27-28-29)13-3-2-8-25-11-13/h1-12,30H,(H,26,31)
InChIKeyZNUFGWYFHZRVME-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.31
Rot. Bonds4

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

2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118710479) has the molecular formula C21H14F3N5O2 and a molecular weight of 425.37 g/mol. Its IUPAC name is 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118710479
Molecular FormulaC21H14F3N5O2
Molecular Weight425.37 g/mol
Exact Mass425.11
IUPAC Name2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3cccnc3)nn2)ccc1O
InChIInChI=1S/C21H14F3N5O2/c22-21(23,24)14-4-1-5-15(9-14)26-20(31)17-10-16(6-7-19(17)30)29-12-18(27-28-29)13-3-2-8-25-11-13/h1-12,30H,(H,26,31)
InChIKeyZNUFGWYFHZRVME-UHFFFAOYSA-N
XLogP4.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 118710479) is 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3cccnc3)nn2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZNUFGWYFHZRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O2/c22-21(23,24)14-4-1-5-15(9-14)26-20(31)17-10-16(6-7-19(17)30)29-12-18(27-28-29)13-3-2-8-25-11-13/h1-12,30H,(H,26,31).
What are the key properties of 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 425.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-pyridin-3-yltriazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118710479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).