N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide

C18H17FN4O2 — CID 16651616

IUPACN-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(C)cc1
InChIInChI=1S/C18H17FN4O2/c1-12-7-9-13(10-8-12)23-16(11-25-2)17(21-22-23)18(24)20-15-6-4-3-5-14(15)19/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYBICZNBYTKXYTL-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.11
Rot. Bonds5

About N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide

N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 16651616) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID16651616
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(C)cc1
InChIInChI=1S/C18H17FN4O2/c1-12-7-9-13(10-8-12)23-16(11-25-2)17(21-22-23)18(24)20-15-6-4-3-5-14(15)19/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyYBICZNBYTKXYTL-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 16651616) is N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(C)cc1.
What is the InChIKey of N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is YBICZNBYTKXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-7-9-13(10-8-12)23-16(11-25-2)17(21-22-23)18(24)20-15-6-4-3-5-14(15)19/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).