2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide

C22H19ClN2O3 — CID 3948136

IUPAC2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CON=Cc1ccccc1OCc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C22H19ClN2O3/c23-20-12-6-4-9-18(20)15-27-21-13-7-5-8-17(21)14-24-28-16-22(26)25-19-10-2-1-3-11-19/h1-14H,15-16H2,(H,25,26)
InChIKeyXKIYPQPDKZSYRI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.91
Rot. Bonds8

About 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide

2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide (PubChem CID 3948136) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
PubChem CID3948136
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CON=Cc1ccccc1OCc1ccccc1Cl)Nc1ccccc1
InChIInChI=1S/C22H19ClN2O3/c23-20-12-6-4-9-18(20)15-27-21-13-7-5-8-17(21)14-24-28-16-22(26)25-19-10-2-1-3-11-19/h1-14H,15-16H2,(H,25,26)
InChIKeyXKIYPQPDKZSYRI-UHFFFAOYSA-N
XLogP4.91
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.91
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-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 4272476
2-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxy-N-phenylacetamide
CID 124551221
2-[(E)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126373978
2-[(E)-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381516
N-(4-chlorophenyl)-2-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]oxyacetamide
CID 3953634
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 4669698
2-[(E)-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 126374184
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
CID 7664217
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 3451254
N-(4-acetylphenyl)-2-[(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 2530880
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide (CID 3948136) is 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide is O=C(CON=Cc1ccccc1OCc1ccccc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
The InChIKey is XKIYPQPDKZSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-20-12-6-4-9-18(20)15-27-21-13-7-5-8-17(21)14-24-28-16-22(26)25-19-10-2-1-3-11-19/h1-14H,15-16H2,(H,25,26).
What are the key properties of 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide?
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide has a molecular weight of 394.86 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 3948136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).