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

C15H9Cl2FN4O — CID 9246914

IUPAC3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2FN4O/c16-11-6-3-9(7-12(11)17)14(23)20-15-19-13(21-22-15)8-1-4-10(18)5-2-8/h1-7H,(H2,19,20,21,22,23)
InChIKeyVKEKXCGGJJDIRN-UHFFFAOYSA-N
MW351.17 g/mol
LogP4.17
Rot. Bonds3

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

3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 9246914) has the molecular formula C15H9Cl2FN4O and a molecular weight of 351.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID9246914
Molecular FormulaC15H9Cl2FN4O
Molecular Weight351.17 g/mol
Exact Mass350.01
IUPAC Name3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2FN4O/c16-11-6-3-9(7-12(11)17)14(23)20-15-19-13(21-22-15)8-1-4-10(18)5-2-8/h1-7H,(H2,19,20,21,22,23)
InChIKeyVKEKXCGGJJDIRN-UHFFFAOYSA-N
XLogP4.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 9246914) is 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is VKEKXCGGJJDIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O/c16-11-6-3-9(7-12(11)17)14(23)20-15-19-13(21-22-15)8-1-4-10(18)5-2-8/h1-7H,(H2,19,20,21,22,23).
What are the key properties of 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 351.17 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 9246914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).