2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide

C18H16F3N3O3 — CID 54152955

IUPAC2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide
SMILESCON=C(C(N)=O)c1ccccc1C(C)=NOc1cccc(C(F)(F)F)c1
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/h3-10H,1-2H3,(H2,22,25)
InChIKeyOJAABTKUMNAHQM-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.34
Rot. Bonds6

About 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide

2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide (PubChem CID 54152955) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide
PubChem CID54152955
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide
SMILESCON=C(C(N)=O)c1ccccc1C(C)=NOc1cccc(C(F)(F)F)c1
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/h3-10H,1-2H3,(H2,22,25)
InChIKeyOJAABTKUMNAHQM-UHFFFAOYSA-N
XLogP3.34
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.34
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-methoxyimino-N-methyl-2-[2-[C-methyl-N-[3-(trifluoromethoxy)phenoxy]carbonimidoyl]phenyl]ethanethioamide
CID 54570606
methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
N'-ethyl-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]ethanimidamide
CID 139653538
2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]ethanethioamide
CID 57213144
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
2-methoxyimino-2-[2-[[[3-methoxyimino-3-[4-[3-(trifluoromethyl)phenoxy]phenyl]prop-1-en-2-yl]amino]oxymethyl]phenyl]-N-methylacetamide
CID 57300176
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate;2H-triazole
CID 174906541
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
1-[2-methyl-4-(2-methylpiperidin-4-yl)pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine
CID 118378441
(1E)-1-methoxyimino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]propan-2-one
CID 59868630
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-4-(trifluoromethyl)phenyl] acetate
CID 135053685
(2E)-2-[2-[[(E)-ethylideneamino]oxy-[3-(trifluoromethyl)phenyl]methyl]phenyl]-2-methoxyiminoacetic acid
CID 87914713

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide (CID 54152955) is 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide is CON=C(C(N)=O)c1ccccc1C(C)=NOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide?
The InChIKey is OJAABTKUMNAHQM-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/h3-10H,1-2H3,(H2,22,25).
What are the key properties of 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide?
2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-[2-[C-methyl-N-[3-(trifluoromethyl)phenoxy]carbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 54152955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).