2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide

C18H16F3N3O3 — CID 56998160

IUPAC2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide
SMILESC=C(NOc1cccc(C(F)(F)F)c1)c1ccccc1C(=NOC)C(N)=O
InChIInChI=1S/C18H16F3N3O3/c1-11(23-27-13-7-5-6-12(10-13)18(19,20)21)14-8-3-4-9-15(14)16(17(22)25)24-26-2/h3-10,23H,1H2,2H3,(H2,22,25)
InChIKeyBYXQXFXMXMMOLX-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.10
Rot. Bonds7

About 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide

2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide (PubChem CID 56998160) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide
PubChem CID56998160
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide
SMILESC=C(NOc1cccc(C(F)(F)F)c1)c1ccccc1C(=NOC)C(N)=O
InChIInChI=1S/C18H16F3N3O3/c1-11(23-27-13-7-5-6-12(10-13)18(19,20)21)14-8-3-4-9-15(14)16(17(22)25)24-26-2/h3-10,23H,1H2,2H3,(H2,22,25)
InChIKeyBYXQXFXMXMMOLX-UHFFFAOYSA-N
XLogP3.10
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide (CID 56998160) is 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide is C=C(NOc1cccc(C(F)(F)F)c1)c1ccccc1C(=NOC)C(N)=O.
What is the InChIKey of 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide?
The InChIKey is BYXQXFXMXMMOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-11(23-27-13-7-5-6-12(10-13)18(19,20)21)14-8-3-4-9-15(14)16(17(22)25)24-26-2/h3-10,23H,1H2,2H3,(H2,22,25).
What are the key properties of 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide?
2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide is sourced from PubChem (CID 56998160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).