2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide

C16H13Cl3N2O3 — CID 7664016

IUPAC2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccccc1/C=N\OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O3/c1-23-15-5-3-2-4-10(15)8-20-24-9-16(22)21-14-7-12(18)11(17)6-13(14)19/h2-8H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyOCVYUQGICCPKMC-ZBKNUEDVSA-N
MW387.65 g/mol
LogP4.64
Rot. Bonds6

About 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide

2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 7664016) has the molecular formula C16H13Cl3N2O3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID7664016
Molecular FormulaC16H13Cl3N2O3
Molecular Weight387.65 g/mol
Exact Mass386.00
IUPAC Name2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccccc1/C=N\OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O3/c1-23-15-5-3-2-4-10(15)8-20-24-9-16(22)21-14-7-12(18)11(17)6-13(14)19/h2-8H,9H2,1H3,(H,21,22)/b20-8-
InChIKeyOCVYUQGICCPKMC-ZBKNUEDVSA-N
XLogP4.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
N-(2-chloro-4-methylphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7703823
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7664139
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663932
N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 7644389
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7701196
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
CID 7664217
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
2-(2-methoxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 3375078
N-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-ethoxyphenyl)acetamide
CID 7703795
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide (CID 7664016) is 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide is COc1ccccc1/C=N\OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is OCVYUQGICCPKMC-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H13Cl3N2O3/c1-23-15-5-3-2-4-10(15)8-20-24-9-16(22)21-14-7-12(18)11(17)6-13(14)19/h2-8H,9H2,1H3,(H,21,22)/b20-8-.
What are the key properties of 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide?
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 387.65 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 7664016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).