N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide

C15H12ClFN2O2 — CID 6895909

IUPACN-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1cccc(F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O2/c16-13-6-1-2-7-14(13)19-15(20)10-21-18-9-11-4-3-5-12(17)8-11/h1-9H,10H2,(H,19,20)/b18-9+
InChIKeyOAMJSVISYCARTQ-GIJQJNRQSA-N
MW306.72 g/mol
LogP3.47
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 6895909) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID6895909
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC NameN-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1cccc(F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O2/c16-13-6-1-2-7-14(13)19-15(20)10-21-18-9-11-4-3-5-12(17)8-11/h1-9H,10H2,(H,19,20)/b18-9+
InChIKeyOAMJSVISYCARTQ-GIJQJNRQSA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.47
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 N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 6895909) is N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide is O=C(CO/N=C/c1cccc(F)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is OAMJSVISYCARTQ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-13-6-1-2-7-14(13)19-15(20)10-21-18-9-11-4-3-5-12(17)8-11/h1-9H,10H2,(H,19,20)/b18-9+.
What are the key properties of N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 306.72 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(E)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 6895909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).