2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide

C19H18F3N3O3 — CID 57188667

IUPAC2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
SMILESC=C(NOCc1ccccc1C(=NOC)C(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O3/c1-12(13-7-9-15(10-8-13)19(20,21)22)24-28-11-14-5-3-4-6-16(14)17(18(23)26)25-27-2/h3-10,24H,1,11H2,2H3,(H2,23,26)
InChIKeyBRPIXZDBIHATBA-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.23
Rot. Bonds8

About 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide

2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide (PubChem CID 57188667) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
PubChem CID57188667
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
SMILESC=C(NOCc1ccccc1C(=NOC)C(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O3/c1-12(13-7-9-15(10-8-13)19(20,21)22)24-28-11-14-5-3-4-6-16(14)17(18(23)26)25-27-2/h3-10,24H,1,11H2,2H3,(H2,23,26)
InChIKeyBRPIXZDBIHATBA-UHFFFAOYSA-N
XLogP3.23
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.23
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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Related Compounds

2-[2-[[[1-(2,4-Difluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide
CID 53825990
2-Methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 54248955
2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide
CID 56975562
2-Methoxyimino-2-[2-[1-[[3-(trifluoromethyl)phenoxy]amino]ethenyl]phenyl]acetamide
CID 56998160
2-[2-[[[3-(2-fluoro-4-methylphenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 57030038
Methyl 2-[2-[[[3-(4-fluoro-2-methylphenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 57083175
2-[2-[[[3-(2,4-Difluorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide
CID 57101780
Methyl 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetate
CID 57103574
N-(2-chloroacetyl)-2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
CID 57162750
Methyl 2-[2-[[[3-(2-fluoro-4-methylphenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 57172137
2-methoxyimino-N-methyl-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
CID 57221262
2-[2-[1-[[2-(2,4-Difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide
CID 57229463

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide (CID 57188667) is 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide is C=C(NOCc1ccccc1C(=NOC)C(N)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
The InChIKey is BRPIXZDBIHATBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-12(13-7-9-15(10-8-13)19(20,21)22)24-28-11-14-5-3-4-6-16(14)17(18(23)26)25-27-2/h3-10,24H,1,11H2,2H3,(H2,23,26).
What are the key properties of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide?
2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 3.23, 8 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-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 57188667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).