1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide

C16H11ClF2N4O2 — CID 24825117

IUPAC1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11ClF2N4O2/c17-10-1-5-12(6-2-10)23-9-20-14(22-23)15(24)21-11-3-7-13(8-4-11)25-16(18)19/h1-9,16H,(H,21,24)
InChIKeyWQNYUEAAYMWJDE-UHFFFAOYSA-N
MW364.74 g/mol
LogP3.77
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 24825117) has the molecular formula C16H11ClF2N4O2 and a molecular weight of 364.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID24825117
Molecular FormulaC16H11ClF2N4O2
Molecular Weight364.74 g/mol
Exact Mass364.05
IUPAC Name1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11ClF2N4O2/c17-10-1-5-12(6-2-10)23-9-20-14(22-23)15(24)21-11-3-7-13(8-4-11)25-16(18)19/h1-9,16H,(H,21,24)
InChIKeyWQNYUEAAYMWJDE-UHFFFAOYSA-N
XLogP3.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]-1,2,4-triazole-3-carboxamide
CID 10368089
N-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990128
3-(1H-1,2,4-triazol-1-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 1473640
1-(2,3-dichlorophenyl)-N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]-1,2,4-triazole-3-carboxamide
CID 10875013
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
US11718612, Example 51
CID 156146653
US11718612, Example 30
CID 156146668
N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 977203
N-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 2988655
N-(4-ethoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15944271
US11718612, Example 52
CID 156146647
US11718612, Example 53
CID 156146691

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide (CID 24825117) is 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ncn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WQNYUEAAYMWJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2/c17-10-1-5-12(6-2-10)23-9-20-14(22-23)15(24)21-11-3-7-13(8-4-11)25-16(18)19/h1-9,16H,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 364.74 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24825117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).