2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide

C15H13ClFN3O2 — CID 7613293

IUPAC2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H13ClFN3O2/c16-11-6-7-13(12(17)8-11)19-14(21)9-22-20-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,21)
InChIKeyKIQBCKKRHRZRDM-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.75
Rot. Bonds5

About 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide

2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide (PubChem CID 7613293) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide
PubChem CID7613293
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H13ClFN3O2/c16-11-6-7-13(12(17)8-11)19-14(21)9-22-20-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,21)
InChIKeyKIQBCKKRHRZRDM-UHFFFAOYSA-N
XLogP2.75
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide (CID 7613293) is 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide is N/C(=N/OCC(=O)Nc1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide?
The InChIKey is KIQBCKKRHRZRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-11-6-7-13(12(17)8-11)19-14(21)9-22-20-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide?
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide has a molecular weight of 321.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 7613293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).