2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

C12H13ClN4O2 — CID 56781989

IUPAC2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)COc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-8-15-11(17-16-8)6-14-12(18)7-19-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyRYAAFWIQTTZMNC-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.46
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56781989) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56781989
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)COc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-8-15-11(17-16-8)6-14-12(18)7-19-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyRYAAFWIQTTZMNC-UHFFFAOYSA-N
XLogP1.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 56781989) is 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CNC(=O)COc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is RYAAFWIQTTZMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-8-15-11(17-16-8)6-14-12(18)7-19-10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 280.72 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56781989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).