2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide

C18H15F5N2O4 — CID 42967725

IUPAC2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(F)F
InChIInChI=1S/C18H15F5N2O4/c1-27-15-7-11(5-6-14(15)29-17(19)20)9-24-28-10-16(26)25-13-4-2-3-12(8-13)18(21,22)23/h2-9,17H,10H2,1H3,(H,25,26)/b24-9+
InChIKeyVPUVBYOGROSAEV-PGGKNCGUSA-N
MW418.32 g/mol
LogP4.30
Rot. Bonds8

About 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 42967725) has the molecular formula C18H15F5N2O4 and a molecular weight of 418.32 g/mol. Its IUPAC name is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID42967725
Molecular FormulaC18H15F5N2O4
Molecular Weight418.32 g/mol
Exact Mass418.10
IUPAC Name2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(/C=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(F)F
InChIInChI=1S/C18H15F5N2O4/c1-27-15-7-11(5-6-14(15)29-17(19)20)9-24-28-10-16(26)25-13-4-2-3-12(8-13)18(21,22)23/h2-9,17H,10H2,1H3,(H,25,26)/b24-9+
InChIKeyVPUVBYOGROSAEV-PGGKNCGUSA-N
XLogP4.30
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.30
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-methylphenyl)acetamide
CID 7665025
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-naphthalen-2-ylacetamide
CID 7665106
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7665044
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18225212
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192
2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 57365585
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18276134
2-[2-ethoxy-4-[(E)-ethoxyiminomethyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 24542208
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3555342
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide (CID 42967725) is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide is COc1cc(/C=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(F)F.
What is the InChIKey of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VPUVBYOGROSAEV-PGGKNCGUSA-N. The full InChI is InChI=1S/C18H15F5N2O4/c1-27-15-7-11(5-6-14(15)29-17(19)20)9-24-28-10-16(26)25-13-4-2-3-12(8-13)18(21,22)23/h2-9,17H,10H2,1H3,(H,25,26)/b24-9+.
What are the key properties of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 418.32 g/mol, XLogP of 4.30, 8 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]oxy-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42967725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).