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

C18H19ClN2O5 — CID 9355379

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(OC)c(/C=N\OCC(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O5/c1-23-14-5-7-16(24-2)12(8-14)10-20-26-11-18(22)21-13-4-6-17(25-3)15(19)9-13/h4-10H,11H2,1-3H3,(H,21,22)/b20-10-
InChIKeyBSCZFZUEYCSDAQ-JMIUGGIZSA-N
MW378.81 g/mol
LogP3.36
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 9355379) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID9355379
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(OC)c(/C=N\OCC(=O)Nc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O5/c1-23-14-5-7-16(24-2)12(8-14)10-20-26-11-18(22)21-13-4-6-17(25-3)15(19)9-13/h4-10H,11H2,1-3H3,(H,21,22)/b20-10-
InChIKeyBSCZFZUEYCSDAQ-JMIUGGIZSA-N
XLogP3.36
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355431
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663932
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(4-formylphenoxy)acetamide
CID 23409469
[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5400870

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide (CID 9355379) is N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide is COc1ccc(OC)c(/C=N\OCC(=O)Nc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is BSCZFZUEYCSDAQ-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-23-14-5-7-16(24-2)12(8-14)10-20-26-11-18(22)21-13-4-6-17(25-3)15(19)9-13/h4-10H,11H2,1-3H3,(H,21,22)/b20-10-.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 378.81 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 9355379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).