4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C22H15F3N4O — CID 2334526

IUPAC4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)18-10-11-20(29-14-26-13-27-29)19(12-18)28-21(30)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,28,30)
InChIKeyGJBVPIKEEOVRTK-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.21
Rot. Bonds4

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

4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2334526) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2334526
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)18-10-11-20(29-14-26-13-27-29)19(12-18)28-21(30)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,28,30)
InChIKeyGJBVPIKEEOVRTK-UHFFFAOYSA-N
XLogP5.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 2334526) is 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GJBVPIKEEOVRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)18-10-11-20(29-14-26-13-27-29)19(12-18)28-21(30)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,28,30).
What are the key properties of 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 408.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2334526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).