2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide

C15H13ClN2O2 — CID 2430181

IUPAC2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CON=Cc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C15H13ClN2O2/c16-13-8-6-12(7-9-13)10-17-20-11-15(19)18-14-4-2-1-3-5-14/h1-10H,11H2,(H,18,19)
InChIKeyPTLYWVRXUVEPPI-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.33
Rot. Bonds5

About 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide

2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide (PubChem CID 2430181) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
PubChem CID2430181
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CON=Cc1ccc(Cl)cc1)Nc1ccccc1
InChIInChI=1S/C15H13ClN2O2/c16-13-8-6-12(7-9-13)10-17-20-11-15(19)18-14-4-2-1-3-5-14/h1-10H,11H2,(H,18,19)
InChIKeyPTLYWVRXUVEPPI-UHFFFAOYSA-N
XLogP3.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.33
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-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
CID 16545370
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-phenoxyphenyl)acetamide
CID 7700764
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
CID 7700741
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7700978
(2-anilino-2-oxoethyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2343081
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381516

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide (CID 2430181) is 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide is O=C(CON=Cc1ccc(Cl)cc1)Nc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide?
The InChIKey is PTLYWVRXUVEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-8-6-12(7-9-13)10-17-20-11-15(19)18-14-4-2-1-3-5-14/h1-10H,11H2,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide?
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide has a molecular weight of 288.73 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 2430181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).