N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide

C22H19ClN2O3 — CID 6293738

IUPACN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c23-21-9-5-4-6-18(21)15-27-20-12-10-17(11-13-20)14-24-25-22(26)16-28-19-7-2-1-3-8-19/h1-14H,15-16H2,(H,25,26)/b24-14-
InChIKeyIWBAXXNPJXFKBY-OYKKKHCWSA-N
MW394.86 g/mol
LogP4.45
Rot. Bonds8

About N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide

N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide (PubChem CID 6293738) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
PubChem CID6293738
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O3/c23-21-9-5-4-6-18(21)15-27-20-12-10-17(11-13-20)14-24-25-22(26)16-28-19-7-2-1-3-8-19/h1-14H,15-16H2,(H,25,26)/b24-14-
InChIKeyIWBAXXNPJXFKBY-OYKKKHCWSA-N
XLogP4.45
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 ≤ 54.45
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

N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 71950723
2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189856
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
CID 171131950
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189850
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
[4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6086034
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
CID 6871476
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 19657451

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide (CID 6293738) is N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide is O=C(COc1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide?
The InChIKey is IWBAXXNPJXFKBY-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-21-9-5-4-6-18(21)15-27-20-12-10-17(11-13-20)14-24-25-22(26)16-28-19-7-2-1-3-8-19/h1-14H,15-16H2,(H,25,26)/b24-14-.
What are the key properties of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide?
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide has a molecular weight of 394.86 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 6293738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).