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

C17H12F4N4O — CID 51533925

IUPAC2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C17H12F4N4O/c18-13-4-1-11(2-5-13)7-16(26)24-14-8-12(17(19,20)21)3-6-15(14)25-10-22-9-23-25/h1-6,8-10H,7H2,(H,24,26)
InChIKeyFOAFEQWUOPDVBT-UHFFFAOYSA-N
MW364.30 g/mol
LogP3.61
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 51533925) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID51533925
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1
InChIInChI=1S/C17H12F4N4O/c18-13-4-1-11(2-5-13)7-16(26)24-14-8-12(17(19,20)21)3-6-15(14)25-10-22-9-23-25/h1-6,8-10H,7H2,(H,24,26)
InChIKeyFOAFEQWUOPDVBT-UHFFFAOYSA-N
XLogP3.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 51533925) is 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FOAFEQWUOPDVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O/c18-13-4-1-11(2-5-13)7-16(26)24-14-8-12(17(19,20)21)3-6-15(14)25-10-22-9-23-25/h1-6,8-10H,7H2,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51533925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).