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

C19H18F3N3O3 — CID 54248955

IUPAC2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCON=C(C(N)=O)c1ccccc1CON=C(C)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/h3-10H,11H2,1-2H3,(H2,23,26)
InChIKeyQVIXUUBYEAPRBE-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.48
Rot. Bonds7

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

2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (PubChem CID 54248955) 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]ethylideneamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
PubChem CID54248955
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
SMILESCON=C(C(N)=O)c1ccccc1CON=C(C)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/h3-10H,11H2,1-2H3,(H2,23,26)
InChIKeyQVIXUUBYEAPRBE-UHFFFAOYSA-N
XLogP3.48
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.48
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'}

Analyze 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide (CID 54248955) is 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide is CON=C(C(N)=O)c1ccccc1CON=C(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
The InChIKey is QVIXUUBYEAPRBE-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/h3-10H,11H2,1-2H3,(H2,23,26).
What are the key properties of 2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide?
2-methoxyimino-2-[2-[[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 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]ethylideneamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 54248955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).