2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H8ClF3N4O — CID 36579686

IUPAC2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N4O/c12-7-3-1-6(2-4-7)5-8(20)16-10-17-9(18-19-10)11(13,14)15/h1-4H,5H2,(H2,16,17,18,19,20)
InChIKeyXMXJWKLXXJTRCH-UHFFFAOYSA-N
MW304.66 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 36579686) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID36579686
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N4O/c12-7-3-1-6(2-4-7)5-8(20)16-10-17-9(18-19-10)11(13,14)15/h1-4H,5H2,(H2,16,17,18,19,20)
InChIKeyXMXJWKLXXJTRCH-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 36579686) is 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is XMXJWKLXXJTRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-7-3-1-6(2-4-7)5-8(20)16-10-17-9(18-19-10)11(13,14)15/h1-4H,5H2,(H2,16,17,18,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 304.66 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 36579686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).