N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide

C16H13Cl3N2O3 — CID 42967676

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CO/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2O3/c1-23-15-5-3-11(17)7-14(15)21-16(22)9-24-20-8-10-2-4-12(18)13(19)6-10/h2-8H,9H2,1H3,(H,21,22)/b20-8+
InChIKeyYAERNZRDJUIHHH-DNTJNYDQSA-N
MW387.65 g/mol
LogP4.64
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide (PubChem CID 42967676) has the molecular formula C16H13Cl3N2O3 and a molecular weight of 387.65 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
PubChem CID42967676
Molecular FormulaC16H13Cl3N2O3
Molecular Weight387.65 g/mol
Exact Mass386.00
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CO/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2O3/c1-23-15-5-3-11(17)7-14(15)21-16(22)9-24-20-8-10-2-4-12(18)13(19)6-10/h2-8H,9H2,1H3,(H,21,22)/b20-8+
InChIKeyYAERNZRDJUIHHH-DNTJNYDQSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668894
N-(2,5-dichlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700247
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 7644389
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 7700967
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700264
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7700952
N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
CID 124552082
N-(3-chloro-4-fluorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700193

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide (CID 42967676) is N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide is COc1ccc(Cl)cc1NC(=O)CO/N=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide?
The InChIKey is YAERNZRDJUIHHH-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H13Cl3N2O3/c1-23-15-5-3-11(17)7-14(15)21-16(22)9-24-20-8-10-2-4-12(18)13(19)6-10/h2-8H,9H2,1H3,(H,21,22)/b20-8+.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide 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 N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 42967676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).