2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide

C14H14Cl2N4O2 — CID 6282303

IUPAC2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)N/N=C\c1ccnn1C
InChIInChI=1S/C14H14Cl2N4O2/c1-9(22-13-7-10(15)3-4-12(13)16)14(21)19-17-8-11-5-6-18-20(11)2/h3-9H,1-2H3,(H,19,21)/b17-8-
InChIKeyZDJULLXLSXXFBP-IUXPMGMMSA-N
MW341.20 g/mol
LogP2.64
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide

2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide (PubChem CID 6282303) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide
PubChem CID6282303
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)N/N=C\c1ccnn1C
InChIInChI=1S/C14H14Cl2N4O2/c1-9(22-13-7-10(15)3-4-12(13)16)14(21)19-17-8-11-5-6-18-20(11)2/h3-9H,1-2H3,(H,19,21)/b17-8-
InChIKeyZDJULLXLSXXFBP-IUXPMGMMSA-N
XLogP2.64
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 841892
2-(4-chlorophenoxy)-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-2-methylpropanohydrazide
CID 9616080
2-(2,5-dichlorophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135804248
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 4790151
2-(4-chlorophenoxy)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-methylpropanohydrazide
CID 9616081
2-(2,5-dichlorophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]propanamide
CID 136205700
2-(2,4-dichlorophenoxy)-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
CID 6886769
2-(2,4-dichlorophenoxy)-N-[(E)-1H-pyrazol-5-ylmethylideneamino]acetamide
CID 135976678
2-(4-Chlorophenoxy)-1-(3-methylpyrazolyl)ethan-1-one
CID 969085
2-(2,4-dichlorophenoxy)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 71808041
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 9428616
2-(2-chloro-4-fluorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 35760913

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide (CID 6282303) is 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide is CC(Oc1cc(Cl)ccc1Cl)C(=O)N/N=C\c1ccnn1C.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide?
The InChIKey is ZDJULLXLSXXFBP-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-9(22-13-7-10(15)3-4-12(13)16)14(21)19-17-8-11-5-6-18-20(11)2/h3-9H,1-2H3,(H,19,21)/b17-8-.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide?
2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide has a molecular weight of 341.20 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(Z)-(2-methylpyrazol-3-yl)methylideneamino]propanamide is sourced from PubChem (CID 6282303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).