N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide

C14H17FN4O2 — CID 71810651

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide
SMILESCOC(C)(CNC(=O)c1cn(C)nn1)c1ccccc1F
InChIInChI=1S/C14H17FN4O2/c1-14(21-3,10-6-4-5-7-11(10)15)9-16-13(20)12-8-19(2)18-17-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyZAPVBYVFFGLVAF-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.25
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide (PubChem CID 71810651) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide
PubChem CID71810651
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide
SMILESCOC(C)(CNC(=O)c1cn(C)nn1)c1ccccc1F
InChIInChI=1S/C14H17FN4O2/c1-14(21-3,10-6-4-5-7-11(10)15)9-16-13(20)12-8-19(2)18-17-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyZAPVBYVFFGLVAF-UHFFFAOYSA-N
XLogP1.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide (CID 71810651) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide is COC(C)(CNC(=O)c1cn(C)nn1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide?
The InChIKey is ZAPVBYVFFGLVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-14(21-3,10-6-4-5-7-11(10)15)9-16-13(20)12-8-19(2)18-17-12/h4-8H,9H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 71810651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).