2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide

C22H19FN2O3 — CID 3263920

IUPAC2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CON=Cc1ccc(OCc2cccc(F)c2)cc1)Nc1ccccc1
InChIInChI=1S/C22H19FN2O3/c23-19-6-4-5-18(13-19)15-27-21-11-9-17(10-12-21)14-24-28-16-22(26)25-20-7-2-1-3-8-20/h1-14H,15-16H2,(H,25,26)
InChIKeyKRECPGJTZMLDNB-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.39
Rot. Bonds8

About 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide

2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide (PubChem CID 3263920) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
PubChem CID3263920
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CON=Cc1ccc(OCc2cccc(F)c2)cc1)Nc1ccccc1
InChIInChI=1S/C22H19FN2O3/c23-19-6-4-5-18(13-19)15-27-21-11-9-17(10-12-21)14-24-28-16-22(26)25-20-7-2-1-3-8-20/h1-14H,15-16H2,(H,25,26)
InChIKeyKRECPGJTZMLDNB-UHFFFAOYSA-N
XLogP4.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 18207237
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 42966966
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 96890733
N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643751

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide (CID 3263920) is 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide is O=C(CON=Cc1ccc(OCc2cccc(F)c2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The InChIKey is KRECPGJTZMLDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-19-6-4-5-18(13-19)15-27-21-11-9-17(10-12-21)14-24-28-16-22(26)25-20-7-2-1-3-8-20/h1-14H,15-16H2,(H,25,26).
What are the key properties of 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide has a molecular weight of 378.40 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 3263920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).