2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide

C12H11Cl2N3O2 — CID 31921202

IUPAC2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)COc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H11Cl2N3O2/c1-17-6-9(5-15-17)16-12(18)7-19-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyUUMYNUPNSGMAAX-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.74
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 31921202) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID31921202
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)COc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H11Cl2N3O2/c1-17-6-9(5-15-17)16-12(18)7-19-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyUUMYNUPNSGMAAX-UHFFFAOYSA-N
XLogP2.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide (CID 31921202) is 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)COc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is UUMYNUPNSGMAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-17-6-9(5-15-17)16-12(18)7-19-11-3-2-8(13)4-10(11)14/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 300.15 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 31921202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).