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

C18H16F2N4O2 — CID 90958351

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2ncn(-c3ccc(OC(F)F)cc3)n2)c1C
InChIInChI=1S/C18H16F2N4O2/c1-11-4-3-5-15(12(11)2)22-17(25)16-21-10-24(23-16)13-6-8-14(9-7-13)26-18(19)20/h3-10,18H,1-2H3,(H,22,25)
InChIKeyVUAYOYIIGXISRB-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.74
Rot. Bonds5

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

1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 90958351) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID90958351
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2ncn(-c3ccc(OC(F)F)cc3)n2)c1C
InChIInChI=1S/C18H16F2N4O2/c1-11-4-3-5-15(12(11)2)22-17(25)16-21-10-24(23-16)13-6-8-14(9-7-13)26-18(19)20/h3-10,18H,1-2H3,(H,22,25)
InChIKeyVUAYOYIIGXISRB-UHFFFAOYSA-N
XLogP3.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide (CID 90958351) is 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide is Cc1cccc(NC(=O)c2ncn(-c3ccc(OC(F)F)cc3)n2)c1C.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is VUAYOYIIGXISRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-11-4-3-5-15(12(11)2)22-17(25)16-21-10-24(23-16)13-6-8-14(9-7-13)26-18(19)20/h3-10,18H,1-2H3,(H,22,25).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide?
1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(2,3-dimethylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90958351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).