2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide

C10H9ClN4O2 — CID 772311

IUPAC2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nn1cnnc1
InChIInChI=1S/C10H9ClN4O2/c11-8-3-1-2-4-9(8)17-5-10(16)14-15-6-12-13-7-15/h1-4,6-7H,5H2,(H,14,16)
InChIKeyNDWYEVRUMZGNSN-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide

2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 772311) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID772311
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nn1cnnc1
InChIInChI=1S/C10H9ClN4O2/c11-8-3-1-2-4-9(8)17-5-10(16)14-15-6-12-13-7-15/h1-4,6-7H,5H2,(H,14,16)
InChIKeyNDWYEVRUMZGNSN-UHFFFAOYSA-N
XLogP1.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide (CID 772311) is 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide is O=C(COc1ccccc1Cl)Nn1cnnc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is NDWYEVRUMZGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-8-3-1-2-4-9(8)17-5-10(16)14-15-6-12-13-7-15/h1-4,6-7H,5H2,(H,14,16).
What are the key properties of 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide?
2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 252.66 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 772311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).