N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide

C18H17F3N2O3 — CID 72599794

IUPACN-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide
SMILESCONC(=O)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-12(13-7-5-8-15(10-13)18(19,20)21)22-26-11-14-6-3-4-9-16(14)17(24)23-25-2/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyRBBVKDWUZLREIY-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.94
Rot. Bonds6

About N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide

N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide (PubChem CID 72599794) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide.

Molecular Properties

Compound NameN-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide
PubChem CID72599794
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide
SMILESCONC(=O)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-12(13-7-5-8-15(10-13)18(19,20)21)22-26-11-14-6-3-4-9-16(14)17(24)23-25-2/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyRBBVKDWUZLREIY-UHFFFAOYSA-N
XLogP3.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-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-[4-(trifluoromethyl)phenyl]ethenylamino]oxymethyl]phenyl]acetamide
CID 57188667
5-tert-butyl-2-fluoro-N-phenylmethoxybenzamide
CID 58989797
N-methoxy-2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide
CID 59934436
(2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 59942500
(2E)-2-[2-fluoro-6-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide
CID 60012667
fluoro 3-ethyl-2-fluoro-N-[2-(trifluoromethyl)benzoyl]benzenecarboximidate
CID 70416320
2-Methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 72602320
2-[2-fluoro-6-[[1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]-N-hydroxy-2-methoxyiminoacetamide
CID 72621774
(2E)-2-methoxyimino-2-[2-[[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 88085051
2-[2-[[[(E)-4-(2,6-difluorophenyl)but-3-en-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyiminoacetamide
CID 88156111

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide?
The IUPAC name of N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide (CID 72599794) is N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide.
What is the SMILES notation for N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide?
The canonical SMILES for N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide is CONC(=O)c1ccccc1CON=C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide?
The InChIKey is RBBVKDWUZLREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-12(13-7-5-8-15(10-13)18(19,20)21)22-26-11-14-6-3-4-9-16(14)17(24)23-25-2/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide?
N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzamide is sourced from PubChem (CID 72599794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).