N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide

C10H8ClFN4O — CID 142981512

IUPACN-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)c1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN4O/c1-16(10(17)8-5-13-15-14-8)9-3-2-6(12)4-7(9)11/h2-5H,1H3,(H,13,14,15)
InChIKeyZCQBXJBJHSFZOQ-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.87
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide

N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide (PubChem CID 142981512) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide
PubChem CID142981512
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)c1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN4O/c1-16(10(17)8-5-13-15-14-8)9-3-2-6(12)4-7(9)11/h2-5H,1H3,(H,13,14,15)
InChIKeyZCQBXJBJHSFZOQ-UHFFFAOYSA-N
XLogP1.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-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 N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide (CID 142981512) is N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide is CN(C(=O)c1cn[nH]n1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is ZCQBXJBJHSFZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c1-16(10(17)8-5-13-15-14-8)9-3-2-6(12)4-7(9)11/h2-5H,1H3,(H,13,14,15).
What are the key properties of N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 142981512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).