2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide

C12H14Cl2N2O2 — CID 57192756

IUPAC2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
SMILESCCCNC(=O)CON=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-6-15-12(17)8-18-16-7-9-10(13)4-3-5-11(9)14/h3-5,7H,2,6,8H2,1H3,(H,15,17)
InChIKeyBWWINAFLDWIQQP-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.87
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide

2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide (PubChem CID 57192756) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
PubChem CID57192756
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
SMILESCCCNC(=O)CON=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-6-15-12(17)8-18-16-7-9-10(13)4-3-5-11(9)14/h3-5,7H,2,6,8H2,1H3,(H,15,17)
InChIKeyBWWINAFLDWIQQP-UHFFFAOYSA-N
XLogP2.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid
CID 13269393
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7701446
2-[[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]oxyacetic acid
CID 54547211
[2-[(2,6-dichlorophenyl)methylideneamino]oxyacetyl] 2-aminooxyacetate
CID 173431791
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340
[2-oxo-2-(propylamino)ethyl] 2-amino-6-chlorobenzoate
CID 63662564
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 114320622
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
CID 57093096
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-propylacetamide
CID 9286556

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide (CID 57192756) is 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide is CCCNC(=O)CON=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide?
The InChIKey is BWWINAFLDWIQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-6-15-12(17)8-18-16-7-9-10(13)4-3-5-11(9)14/h3-5,7H,2,6,8H2,1H3,(H,15,17).
What are the key properties of 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide?
2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide has a molecular weight of 289.16 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide is sourced from PubChem (CID 57192756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).