2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

C23H25F2N3O3 — CID 73413730

IUPAC2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1CON=C(C)C1CC1(C)c1ccc(F)cc1F
InChIInChI=1S/C23H25F2N3O3/c1-14(19-12-23(19,2)18-10-9-16(24)11-20(18)25)27-31-13-15-7-5-6-8-17(15)21(28-30-4)22(29)26-3/h5-11,19H,12-13H2,1-4H3,(H,26,29)
InChIKeyLTVSOWDLUZBUAQ-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.93
Rot. Bonds8

About 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 73413730) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID73413730
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1CON=C(C)C1CC1(C)c1ccc(F)cc1F
InChIInChI=1S/C23H25F2N3O3/c1-14(19-12-23(19,2)18-10-9-16(24)11-20(18)25)27-31-13-15-7-5-6-8-17(15)21(28-30-4)22(29)26-3/h5-11,19H,12-13H2,1-4H3,(H,26,29)
InChIKeyLTVSOWDLUZBUAQ-UHFFFAOYSA-N
XLogP3.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.93
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-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide with MolForge

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Related Compounds

2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87950243
2-[2-[[[(1Z)-1-(4-fluorophenyl)-1-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59041141
(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
CID 91028424
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
2-methoxyimino-2-[2-[[(3-methoxyimino-4-phenylbutan-2-ylidene)amino]oxymethyl]phenyl]-N-methylacetamide
CID 72611267
(2E)-2-[2-[[(E)-1-(3-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 156812660
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 156812657
methyl (2E)-2-[2-[[(E)-1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 173271663
methyl (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 157023984
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2E)-2-[2-[[1-[3-(2-chloro-2-fluoroethenyl)phenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87569029

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 73413730) is 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccccc1CON=C(C)C1CC1(C)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is LTVSOWDLUZBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-14(19-12-23(19,2)18-10-9-16(24)11-20(18)25)27-31-13-15-7-5-6-8-17(15)21(28-30-4)22(29)26-3/h5-11,19H,12-13H2,1-4H3,(H,26,29).
What are the key properties of 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 429.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 73413730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).