N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide

C17H15ClF2N2O4 — CID 7644389

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CO/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O4/c1-24-15-7-6-12(18)8-13(15)22-16(23)10-25-21-9-11-4-2-3-5-14(11)26-17(19)20/h2-9,17H,10H2,1H3,(H,22,23)/b21-9-
InChIKeyQMUVCQOSWYSTSZ-NKVSQWTQSA-N
MW384.77 g/mol
LogP3.94
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide

N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide (PubChem CID 7644389) has the molecular formula C17H15ClF2N2O4 and a molecular weight of 384.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
PubChem CID7644389
Molecular FormulaC17H15ClF2N2O4
Molecular Weight384.77 g/mol
Exact Mass384.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CO/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O4/c1-24-15-7-6-12(18)8-13(15)22-16(23)10-25-21-9-11-4-2-3-5-14(11)26-17(19)20/h2-9,17H,10H2,1H3,(H,22,23)/b21-9-
InChIKeyQMUVCQOSWYSTSZ-NKVSQWTQSA-N
XLogP3.94
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.77
LogP ≤ 53.94
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

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
CID 42967676
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7644360
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7664016
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7644287
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7701196
N-(5-chloro-2-methoxyphenyl)-2-[[2-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 33184219

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide (CID 7644389) is N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide is COc1ccc(Cl)cc1NC(=O)CO/N=C\c1ccccc1OC(F)F.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
The InChIKey is QMUVCQOSWYSTSZ-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H15ClF2N2O4/c1-24-15-7-6-12(18)8-13(15)22-16(23)10-25-21-9-11-4-2-3-5-14(11)26-17(19)20/h2-9,17H,10H2,1H3,(H,22,23)/b21-9-.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide has a molecular weight of 384.77 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide is sourced from PubChem (CID 7644389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).