2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C12H12F2N4O2 — CID 64512266

IUPAC2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4O2/c1-18(5-11-15-7-16-17-11)12(19)6-20-10-3-2-8(13)4-9(10)14/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyXDSYMEUOVGOFKH-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.12
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64512266) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64512266
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4O2/c1-18(5-11-15-7-16-17-11)12(19)6-20-10-3-2-8(13)4-9(10)14/h2-4,7H,5-6H2,1H3,(H,15,16,17)
InChIKeyXDSYMEUOVGOFKH-UHFFFAOYSA-N
XLogP1.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64512266) is 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CN(Cc1ncn[nH]1)C(=O)COc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is XDSYMEUOVGOFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-18(5-11-15-7-16-17-11)12(19)6-20-10-3-2-8(13)4-9(10)14/h2-4,7H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 282.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64512266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).