2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide

C11H12Cl2N2O2 — CID 57093096

IUPAC2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
SMILESCCC(ON=Cc1c(Cl)cccc1Cl)C(N)=O
InChIInChI=1S/C11H12Cl2N2O2/c1-2-10(11(14)16)17-15-6-7-8(12)4-3-5-9(7)13/h3-6,10H,2H2,1H3,(H2,14,16)
InChIKeyUJRIQMVNYAPADC-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.61
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide

2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide (PubChem CID 57093096) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
PubChem CID57093096
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
SMILESCCC(ON=Cc1c(Cl)cccc1Cl)C(N)=O
InChIInChI=1S/C11H12Cl2N2O2/c1-2-10(11(14)16)17-15-6-7-8(12)4-3-5-9(7)13/h3-6,10H,2H2,1H3,(H2,14,16)
InChIKeyUJRIQMVNYAPADC-UHFFFAOYSA-N
XLogP2.61
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide (CID 57093096) is 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide is CCC(ON=Cc1c(Cl)cccc1Cl)C(N)=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide?
The InChIKey is UJRIQMVNYAPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-2-10(11(14)16)17-15-6-7-8(12)4-3-5-9(7)13/h3-6,10H,2H2,1H3,(H2,14,16).
What are the key properties of 2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide?
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide has a molecular weight of 275.13 g/mol, XLogP of 2.61, 5 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]oxybutanamide is sourced from PubChem (CID 57093096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).