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

C16H12ClFN4O — CID 9246827

IUPAC2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H12ClFN4O/c17-12-5-1-10(2-6-12)9-14(23)19-16-20-15(21-22-16)11-3-7-13(18)8-4-11/h1-8H,9H2,(H2,19,20,21,22,23)
InChIKeyYGLUQYKQPNLXTI-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.45
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 9246827) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID9246827
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC Name2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H12ClFN4O/c17-12-5-1-10(2-6-12)9-14(23)19-16-20-15(21-22-16)11-3-7-13(18)8-4-11/h1-8H,9H2,(H2,19,20,21,22,23)
InChIKeyYGLUQYKQPNLXTI-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.45
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-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 9246827) is 2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is YGLUQYKQPNLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-12-5-1-10(2-6-12)9-14(23)19-16-20-15(21-22-16)11-3-7-13(18)8-4-11/h1-8H,9H2,(H2,19,20,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(4-chlorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 330.75 g/mol, XLogP of 3.45, 4 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-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 9246827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).