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

C17H16Cl2N2O4 — CID 7668894

IUPACN-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(/C=N\OCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-23-15-6-3-11(7-16(15)24-2)9-20-25-10-17(22)21-14-8-12(18)4-5-13(14)19/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyUURXHXMCQAPFSV-UKWGHVSLSA-N
MW383.23 g/mol
LogP4.00
Rot. Bonds7

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

N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 7668894) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID7668894
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(/C=N\OCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-23-15-6-3-11(7-16(15)24-2)9-20-25-10-17(22)21-14-8-12(18)4-5-13(14)19/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyUURXHXMCQAPFSV-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-(2,5-dichlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700247
N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
CID 42967676
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
N-(2-chloro-4-methylphenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700264
N-(4-chlorophenyl)-2-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxyacetamide
CID 124552082
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 7700967
N-(3-chloro-4-fluorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700193
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7669003
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide (CID 7668894) is N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide is COc1ccc(/C=N\OCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is UURXHXMCQAPFSV-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-23-15-6-3-11(7-16(15)24-2)9-20-25-10-17(22)21-14-8-12(18)4-5-13(14)19/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-.
What are the key properties of N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide?
N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-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-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7668894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).