2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide

C15H13ClFN3O2 — CID 51228433

IUPAC2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c16-11-4-1-3-10(7-11)15(18)20-22-9-14(21)19-13-6-2-5-12(17)8-13/h1-8H,9H2,(H2,18,20)(H,19,21)
InChIKeyLNRICTMLLIQVRF-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.75
Rot. Bonds5

About 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide

2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide (PubChem CID 51228433) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
PubChem CID51228433
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClFN3O2/c16-11-4-1-3-10(7-11)15(18)20-22-9-14(21)19-13-6-2-5-12(17)8-13/h1-8H,9H2,(H2,18,20)(H,19,21)
InChIKeyLNRICTMLLIQVRF-UHFFFAOYSA-N
XLogP2.75
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.75
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)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
CID 51228642
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-(3-chloro-4-fluorophenyl)acetamide
CID 51228284
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-(3-fluorophenyl)acetamide
CID 9372367
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7613239
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859628
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
CID 46698554
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
CID 95169102

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide (CID 51228433) is 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide is N/C(=N/OCC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is LNRICTMLLIQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-11-4-1-3-10(7-11)15(18)20-22-9-14(21)19-13-6-2-5-12(17)8-13/h1-8H,9H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide?
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 321.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 51228433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).