2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide

C11H12F2N2O4 — CID 16545202

IUPAC2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N/OCC(N)=O)ccc1OC(F)F
InChIInChI=1S/C11H12F2N2O4/c1-17-9-4-7(5-15-18-6-10(14)16)2-3-8(9)19-11(12)13/h2-5,11H,6H2,1H3,(H2,14,16)/b15-5+
InChIKeyQPLYTVJHWWCISV-PJQLUOCWSA-N
MW274.22 g/mol
LogP1.13
Rot. Bonds7

About 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide

2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide (PubChem CID 16545202) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide.

Molecular Properties

Compound Name2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
PubChem CID16545202
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Name2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
SMILESCOc1cc(/C=N/OCC(N)=O)ccc1OC(F)F
InChIInChI=1S/C11H12F2N2O4/c1-17-9-4-7(5-15-18-6-10(14)16)2-3-8(9)19-11(12)13/h2-5,11H,6H2,1H3,(H2,14,16)/b15-5+
InChIKeyQPLYTVJHWWCISV-PJQLUOCWSA-N
XLogP1.13
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 51.13
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)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2438469
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700024
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18276134
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7665106
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine
CID 75535927
1-[3-[[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 6905479

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
The IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide (CID 16545202) is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide.
What is the SMILES notation for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
The canonical SMILES for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide is COc1cc(/C=N/OCC(N)=O)ccc1OC(F)F.
What is the InChIKey of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
The InChIKey is QPLYTVJHWWCISV-PJQLUOCWSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c1-17-9-4-7(5-15-18-6-10(14)16)2-3-8(9)19-11(12)13/h2-5,11H,6H2,1H3,(H2,14,16)/b15-5+.
What are the key properties of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide?
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide has a molecular weight of 274.22 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide is sourced from PubChem (CID 16545202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).