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

C17H17F2N3O2 — CID 51228335

IUPAC2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESN/C(=N\OCC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2N3O2/c18-14-5-1-12(2-6-14)9-10-21-16(23)11-24-22-17(20)13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H2,20,22)(H,21,23)
InChIKeyMWEIEZDWVFUEOE-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.96
Rot. Bonds7

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

2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 51228335) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID51228335
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESN/C(=N\OCC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2N3O2/c18-14-5-1-12(2-6-14)9-10-21-16(23)11-24-22-17(20)13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H2,20,22)(H,21,23)
InChIKeyMWEIEZDWVFUEOE-UHFFFAOYSA-N
XLogP1.96
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.96
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-benzylacetamide
CID 51228288
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
CID 47118215
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-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18206703
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2371103
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7500839
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783610
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2357999
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2554943
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2364423
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806277
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914898

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 51228335) is 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide is N/C(=N\OCC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MWEIEZDWVFUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-14-5-1-12(2-6-14)9-10-21-16(23)11-24-22-17(20)13-3-7-15(19)8-4-13/h1-8H,9-11H2,(H2,20,22)(H,21,23).
What are the key properties of 2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 1.96, 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-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 51228335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).