2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide

C11H11F3N2O2 — CID 71321698

IUPAC2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide
SMILESCc1ccc(C(=NOCC(N)=O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O2/c1-7-2-4-8(5-3-7)10(11(12,13)14)16-18-6-9(15)17/h2-5H,6H2,1H3,(H2,15,17)
InChIKeyYCPSKLADQOQMSQ-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.76
Rot. Bonds4

About 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide

2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide (PubChem CID 71321698) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide.

Molecular Properties

Compound Name2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide
PubChem CID71321698
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide
SMILESCc1ccc(C(=NOCC(N)=O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O2/c1-7-2-4-8(5-3-7)10(11(12,13)14)16-18-6-9(15)17/h2-5H,6H2,1H3,(H2,15,17)
InChIKeyYCPSKLADQOQMSQ-UHFFFAOYSA-N
XLogP1.76
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]propane-2-sulfinamide
CID 135077950
methyl 2-[(E)-[3-iodo-2,2-dimethyl-1-(4-methylphenyl)propylidene]amino]oxyacetate
CID 172930752
2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
CID 59115160
3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide
CID 142387183
alumane;4-methylbenzoic acid
CID 173230362
ethyl (E)-4,4,4-trifluoro-3-(4-methylphenyl)but-2-enoate
CID 12063996
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
4-bromo-4,4-difluoro-1-(4-methylphenyl)butan-1-one
CID 102224011
1,1,1-trifluoro-4-hydroxy-4-[4-(4-methylphenyl)phenyl]but-3-en-2-one
CID 67503108
ethyl 4-[C-tert-butyl-N-(4-methylphenyl)sulfinylcarbonimidoyl]benzoate
CID 76779925
quinolin-2-yl (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]carbamate
CID 15256436
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide?
The IUPAC name of 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide (CID 71321698) is 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide.
What is the SMILES notation for 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide?
The canonical SMILES for 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide is Cc1ccc(C(=NOCC(N)=O)C(F)(F)F)cc1.
What is the InChIKey of 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide?
The InChIKey is YCPSKLADQOQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-7-2-4-8(5-3-7)10(11(12,13)14)16-18-6-9(15)17/h2-5H,6H2,1H3,(H2,15,17).
What are the key properties of 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide?
2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide has a molecular weight of 260.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide is sourced from PubChem (CID 71321698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).