2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide

C15H12ClF2N3O2 — CID 51228284

IUPAC2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
SMILESN/C(=N\OCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3O2/c16-12-7-11(5-6-13(12)18)20-14(22)8-23-21-15(19)9-1-3-10(17)4-2-9/h1-7H,8H2,(H2,19,21)(H,20,22)
InChIKeyFCEPLABEMCHCMI-UHFFFAOYSA-N
MW339.73 g/mol
LogP2.89
Rot. Bonds5

About 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide

2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 51228284) has the molecular formula C15H12ClF2N3O2 and a molecular weight of 339.73 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID51228284
Molecular FormulaC15H12ClF2N3O2
Molecular Weight339.73 g/mol
Exact Mass339.06
IUPAC Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
SMILESN/C(=N\OCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClF2N3O2/c16-12-7-11(5-6-13(12)18)20-14(22)8-23-21-15(19)9-1-3-10(17)4-2-9/h1-7H,8H2,(H2,19,21)(H,20,22)
InChIKeyFCEPLABEMCHCMI-UHFFFAOYSA-N
XLogP2.89
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.89
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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Related Compounds

2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 18292830
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 18229188
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781191
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
CID 47118215
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate
CID 2350542
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2567101
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide (CID 51228284) is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide is N/C(=N\OCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is FCEPLABEMCHCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O2/c16-12-7-11(5-6-13(12)18)20-14(22)8-23-21-15(19)9-1-3-10(17)4-2-9/h1-7H,8H2,(H2,19,21)(H,20,22).
What are the key properties of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide?
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 339.73 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 51228284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).