N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

C19H19FN4O2 — CID 127046483

IUPACN-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H19FN4O2/c1-4-26-16-7-5-6-12(2)17(16)21-19(25)18-13(3)24(23-22-18)15-10-8-14(20)9-11-15/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeySIERVJZKUBSKLY-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.67
Rot. Bonds5

About N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide

N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 127046483) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID127046483
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H19FN4O2/c1-4-26-16-7-5-6-12(2)17(16)21-19(25)18-13(3)24(23-22-18)15-10-8-14(20)9-11-15/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeySIERVJZKUBSKLY-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-(4-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858206
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 55597205
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 127046483) is N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is CCOc1cccc(C)c1NC(=O)c1nnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is SIERVJZKUBSKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-4-26-16-7-5-6-12(2)17(16)21-19(25)18-13(3)24(23-22-18)15-10-8-14(20)9-11-15/h5-11H,4H2,1-3H3,(H,21,25).
What are the key properties of N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 127046483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).