N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide

C17H16Cl2N2O4 — CID 9355357

IUPACN-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(OC)c(/C=N\OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O4/c1-23-13-4-6-16(24-2)11(7-13)9-20-25-10-17(22)21-12-3-5-14(18)15(19)8-12/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyJOIJHAYCDZZQHJ-UKWGHVSLSA-N
MW383.23 g/mol
LogP4.00
Rot. Bonds7

About N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide

N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 9355357) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID9355357
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(OC)c(/C=N\OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O4/c1-23-13-4-6-16(24-2)11(7-13)9-20-25-10-17(22)21-12-3-5-14(18)15(19)8-12/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyJOIJHAYCDZZQHJ-UKWGHVSLSA-N
XLogP4.00
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663932
N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355431
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7664016
[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5400870
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
N-benzhydryl-2-[(2,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 2428169
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide (CID 9355357) is N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide is COc1ccc(OC)c(/C=N\OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is JOIJHAYCDZZQHJ-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-23-13-4-6-16(24-2)11(7-13)9-20-25-10-17(22)21-12-3-5-14(18)15(19)8-12/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 383.23 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 9355357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).