1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide

C15H10ClFN4O — CID 15944306

IUPAC1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H10ClFN4O/c16-10-1-7-13(8-2-10)21-9-18-14(20-21)15(22)19-12-5-3-11(17)4-6-12/h1-9H,(H,19,22)
InChIKeySAMGUUZAYAUHDR-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 15944306) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
PubChem CID15944306
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H10ClFN4O/c16-10-1-7-13(8-2-10)21-9-18-14(20-21)15(22)19-12-5-3-11(17)4-6-12/h1-9H,(H,19,22)
InChIKeySAMGUUZAYAUHDR-UHFFFAOYSA-N
XLogP3.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 3785120
N-(4-fluorophenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15944261
N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990033
1-[5-Chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-fluorophenyl)urea
CID 9535399
N-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 4417750
US11718612, Example 13
CID 156137987
US11718612, Example 12
CID 156138003
US11718612, Example 88
CID 156138011
US11718612, Example 86
CID 156138059
US11718612, Example 10
CID 156146554
US11718612, Example 102
CID 156146571
US11718612, Example 32
CID 156146576

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide (CID 15944306) is 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ncn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SAMGUUZAYAUHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-10-1-7-13(8-2-10)21-9-18-14(20-21)15(22)19-12-5-3-11(17)4-6-12/h1-9H,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 316.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-fluorophenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).