2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide

C16H16FN3O2 — CID 51228288

IUPAC2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide
SMILESN/C(=N\OCC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-14-8-6-13(7-9-14)16(18)20-22-11-15(21)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,20)(H,19,21)
InChIKeyITDAMPNQDHSKDX-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.78
Rot. Bonds6

About 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide

2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide (PubChem CID 51228288) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide
PubChem CID51228288
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide
SMILESN/C(=N\OCC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-14-8-6-13(7-9-14)16(18)20-22-11-15(21)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,20)(H,19,21)
InChIKeyITDAMPNQDHSKDX-UHFFFAOYSA-N
XLogP1.78
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.78
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-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 51228335
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 51228689
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide
CID 16544849
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
CID 47118215
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide?
The IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide (CID 51228288) is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide is N/C(=N\OCC(=O)NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide?
The InChIKey is ITDAMPNQDHSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-14-8-6-13(7-9-14)16(18)20-22-11-15(21)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide?
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide has a molecular weight of 301.32 g/mol, XLogP of 1.78, 6 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-benzylacetamide is sourced from PubChem (CID 51228288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).