2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide

C15H18F2N4O2 — CID 131898828

IUPAC2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1COc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O2/c1-15(2,3)21-14(19-13(20-21)7-12(18)22)8-23-11-5-4-9(16)6-10(11)17/h4-6H,7-8H2,1-3H3,(H2,18,22)
InChIKeyHFZJSJGAMFPVEK-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.92
Rot. Bonds5

About 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide

2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 131898828) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID131898828
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1COc1ccc(F)cc1F
InChIInChI=1S/C15H18F2N4O2/c1-15(2,3)21-14(19-13(20-21)7-12(18)22)8-23-11-5-4-9(16)6-10(11)17/h4-6H,7-8H2,1-3H3,(H2,18,22)
InChIKeyHFZJSJGAMFPVEK-UHFFFAOYSA-N
XLogP1.92
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide (CID 131898828) is 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide is CC(C)(C)n1nc(CC(N)=O)nc1COc1ccc(F)cc1F.
What is the InChIKey of 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is HFZJSJGAMFPVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-15(2,3)21-14(19-13(20-21)7-12(18)22)8-23-11-5-4-9(16)6-10(11)17/h4-6H,7-8H2,1-3H3,(H2,18,22).
What are the key properties of 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 324.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-5-[(2,4-difluorophenoxy)methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131898828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).