2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide

C12H10Cl2N4O2 — CID 135976678

IUPAC2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccn[nH]1
InChIInChI=1S/C12H10Cl2N4O2/c13-8-1-2-11(10(14)5-8)20-7-12(19)18-16-6-9-3-4-15-17-9/h1-6H,7H2,(H,15,17)(H,18,19)/b16-6+
InChIKeyZRTUFKWFRJTUAJ-OMCISZLKSA-N
MW313.14 g/mol
LogP2.25
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide (PubChem CID 135976678) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide
PubChem CID135976678
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccn[nH]1
InChIInChI=1S/C12H10Cl2N4O2/c13-8-1-2-11(10(14)5-8)20-7-12(19)18-16-6-9-3-4-15-17-9/h1-6H,7H2,(H,15,17)(H,18,19)/b16-6+
InChIKeyZRTUFKWFRJTUAJ-OMCISZLKSA-N
XLogP2.25
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide (CID 135976678) is 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccn[nH]1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide?
The InChIKey is ZRTUFKWFRJTUAJ-OMCISZLKSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c13-8-1-2-11(10(14)5-8)20-7-12(19)18-16-6-9-3-4-15-17-9/h1-6H,7H2,(H,15,17)(H,18,19)/b16-6+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide has a molecular weight of 313.14 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide is sourced from PubChem (CID 135976678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).