2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide

C14H20FN3O2 — CID 47118215

IUPAC2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C(\N)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-3-12(4-2)17-13(19)9-20-18-14(16)10-5-7-11(15)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyZMGKYLWVFNDHRB-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.77
Rot. Bonds7

About 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide

2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide (PubChem CID 47118215) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
PubChem CID47118215
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CO/N=C(\N)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-3-12(4-2)17-13(19)9-20-18-14(16)10-5-7-11(15)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyZMGKYLWVFNDHRB-UHFFFAOYSA-N
XLogP1.77
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.77
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-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide
CID 51228288
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 51228284
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 18292830
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pentan-3-ylbenzamide
CID 43332996
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(carbamoylamino)benzoate
CID 2527364
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
CID 19292023
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 51228689
2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-pentan-3-ylacetamide
CID 60605268
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
CID 7363991

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide (CID 47118215) is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CO/N=C(\N)c1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide?
The InChIKey is ZMGKYLWVFNDHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-12(4-2)17-13(19)9-20-18-14(16)10-5-7-11(15)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide?
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide has a molecular weight of 281.33 g/mol, XLogP of 1.77, 7 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-pentan-3-ylacetamide is sourced from PubChem (CID 47118215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).