2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide

C22H20FN3O2 — CID 9372367

IUPAC2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1cccc(F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c23-18-12-7-13-19(14-18)25-20(27)15-28-26-22(24)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H2,24,26)(H,25,27)
InChIKeyVFKABZVTUZKMRD-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.89
Rot. Bonds7

About 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide

2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide (PubChem CID 9372367) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
PubChem CID9372367
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1cccc(F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c23-18-12-7-13-19(14-18)25-20(27)15-28-26-22(24)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H2,24,26)(H,25,27)
InChIKeyVFKABZVTUZKMRD-UHFFFAOYSA-N
XLogP3.89
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.89
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-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-methylphenyl)acetamide
CID 9372104
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(2,6-diethylphenyl)acetamide
CID 9372201
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842743
[2-(3-fluoroanilino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661250
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 29142837
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887341
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide (CID 9372367) is 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide is N/C(=N/OCC(=O)Nc1cccc(F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is VFKABZVTUZKMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-18-12-7-13-19(14-18)25-20(27)15-28-26-22(24)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,21H,15H2,(H2,24,26)(H,25,27).
What are the key properties of 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide?
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 377.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9372367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).