N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide

C16H14Cl2N2O2 — CID 7701233

IUPACN-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C\c1cccc(Cl)c1Cl)NCc1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c17-14-8-4-7-13(16(14)18)10-20-22-11-15(21)19-9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,21)/b20-10-
InChIKeyXYSQFKBCPACAAV-JMIUGGIZSA-N
MW337.21 g/mol
LogP3.66
Rot. Bonds6

About N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide

N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide (PubChem CID 7701233) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
PubChem CID7701233
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C\c1cccc(Cl)c1Cl)NCc1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c17-14-8-4-7-13(16(14)18)10-20-22-11-15(21)19-9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,21)/b20-10-
InChIKeyXYSQFKBCPACAAV-JMIUGGIZSA-N
XLogP3.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.66
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

N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253
N-[(4-chlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670051
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7701446
2-[(Z)-benzylideneamino]oxy-N-[(2-chlorophenyl)methyl]acetamide
CID 7643814
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7701194
N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701325
2-[[2-[(E)-(2,6-dichlorophenyl)methylideneamino]oxyacetyl]amino]acetic acid
CID 13269393
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7701196
methyl 4-[[[2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetyl]amino]methyl]benzoate
CID 7664095
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
2-[(E)-benzylideneamino]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 24606299
N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670318

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide (CID 7701233) is N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide is O=C(CO/N=C\c1cccc(Cl)c1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
The InChIKey is XYSQFKBCPACAAV-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-14-8-4-7-13(16(14)18)10-20-22-11-15(21)19-9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,21)/b20-10-.
What are the key properties of N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide?
N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide has a molecular weight of 337.21 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7701233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).