2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

C10H8Cl2N4O2 — CID 719082

IUPAC2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ncn[nH]1
InChIInChI=1S/C10H8Cl2N4O2/c11-6-1-2-7(12)8(3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17)
InChIKeyXPAQGRNMZRJIKR-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.13
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 719082) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID719082
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ncn[nH]1
InChIInChI=1S/C10H8Cl2N4O2/c11-6-1-2-7(12)8(3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17)
InChIKeyXPAQGRNMZRJIKR-UHFFFAOYSA-N
XLogP2.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 719082) is 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1cc(Cl)ccc1Cl)Nc1ncn[nH]1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is XPAQGRNMZRJIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c11-6-1-2-7(12)8(3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 287.11 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 719082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).