2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide

C18H17Cl3N2O2 — CID 7702368

IUPAC2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)c1ccc(/C=N\OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-11(2)13-5-3-12(4-6-13)9-22-25-10-17(24)23-18-15(20)7-14(19)8-16(18)21/h3-9,11H,10H2,1-2H3,(H,23,24)/b22-9-
InChIKeyHEXYQURPEKJXTB-AFPJDJCSSA-N
MW399.71 g/mol
LogP5.76
Rot. Bonds6

About 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide

2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 7702368) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID7702368
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(C)c1ccc(/C=N\OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-11(2)13-5-3-12(4-6-13)9-22-25-10-17(24)23-18-15(20)7-14(19)8-16(18)21/h3-9,11H,10H2,1-2H3,(H,23,24)/b22-9-
InChIKeyHEXYQURPEKJXTB-AFPJDJCSSA-N
XLogP5.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702529
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
CID 7700741
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 6909247
N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 78766612
N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 9355558
N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705493
2-propan-2-yloxy-N-(2,4,6-trichlorophenyl)acetamide
CID 112604411
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
CID 16545370

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide (CID 7702368) is 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide is CC(C)c1ccc(/C=N\OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is HEXYQURPEKJXTB-AFPJDJCSSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-11(2)13-5-3-12(4-6-13)9-22-25-10-17(24)23-18-15(20)7-14(19)8-16(18)21/h3-9,11H,10H2,1-2H3,(H,23,24)/b22-9-.
What are the key properties of 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide?
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 399.71 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 7702368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).