N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide

C18H17FN4O2 — CID 6484730

IUPACN-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1
InChIInChI=1S/C18H17FN4O2/c1-3-25-14-10-8-13(9-11-14)20-18(24)17-12(2)23(22-21-17)16-7-5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyPEFWSRXLPXBOQC-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.37
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide

N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 6484730) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID6484730
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1
InChIInChI=1S/C18H17FN4O2/c1-3-25-14-10-8-13(9-11-14)20-18(24)17-12(2)23(22-21-17)16-7-5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyPEFWSRXLPXBOQC-UHFFFAOYSA-N
XLogP3.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 6484730) is N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide is CCOc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is PEFWSRXLPXBOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-3-25-14-10-8-13(9-11-14)20-18(24)17-12(2)23(22-21-17)16-7-5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H,20,24).
What are the key properties of N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(2-fluorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 6484730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).