1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C16H11Cl2FN4O — CID 1473971

IUPAC1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2FN4O/c1-9-20-15(16(24)21-13-4-2-12(19)3-5-13)22-23(9)14-7-10(17)6-11(18)8-14/h2-8H,1H3,(H,21,24)
InChIKeyNVMHRKYJIWLBBP-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.27
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 1473971) has the molecular formula C16H11Cl2FN4O and a molecular weight of 365.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID1473971
Molecular FormulaC16H11Cl2FN4O
Molecular Weight365.20 g/mol
Exact Mass364.03
IUPAC Name1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H11Cl2FN4O/c1-9-20-15(16(24)21-13-4-2-12(19)3-5-13)22-23(9)14-7-10(17)6-11(18)8-14/h2-8H,1H3,(H,21,24)
InChIKeyNVMHRKYJIWLBBP-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 1473971) is 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NVMHRKYJIWLBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O/c1-9-20-15(16(24)21-13-4-2-12(19)3-5-13)22-23(9)14-7-10(17)6-11(18)8-14/h2-8H,1H3,(H,21,24).
What are the key properties of 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 365.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1473971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).