2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide

C20H20F3N3O3 — CID 56975562

IUPAC2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide
SMILESC=C(NOCc1cccc(C(F)(F)F)c1)c1ccccc1C(=NOC)C(=O)NC
InChIInChI=1S/C20H20F3N3O3/c1-13(25-29-12-14-7-6-8-15(11-14)20(21,22)23)16-9-4-5-10-17(16)18(26-28-3)19(27)24-2/h4-11,25H,1,12H2,2-3H3,(H,24,27)
InChIKeyFAPSSOVCPLTPJE-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.49
Rot. Bonds8

About 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide

2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide (PubChem CID 56975562) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide
PubChem CID56975562
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide
SMILESC=C(NOCc1cccc(C(F)(F)F)c1)c1ccccc1C(=NOC)C(=O)NC
InChIInChI=1S/C20H20F3N3O3/c1-13(25-29-12-14-7-6-8-15(11-14)20(21,22)23)16-9-4-5-10-17(16)18(26-28-3)19(27)24-2/h4-11,25H,1,12H2,2-3H3,(H,24,27)
InChIKeyFAPSSOVCPLTPJE-UHFFFAOYSA-N
XLogP3.49
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.49
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'}

Analyze 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]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

Related Compounds

(2E)-2-[2-[[(E)-1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970860
(2E)-2-[2-[[(E)-1-(6-fluoro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970861
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(6-methyl-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 24970862
(2E)-2-[2-[[(E)-1-(5-fluoro-1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 24970863
methyl (1Z)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-3,5-bis(trifluoromethyl)benzenecarboximidothioate
CID 25022799
methyl (1Z)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-3,5-bis(trifluoromethyl)benzenecarboximidate
CID 25023682
(2E)-2-methoxyimino-N-methyl-2-[2-[(E)-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]iminomethyl]phenyl]acetamide
CID 11015033
(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-1-[4-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 15789476
alpha-(Methoxyimino)-n-methyl-2-[[[1-[3-(trifluoromethyl)phenyl]ethoxy]imino]methyl]benzeneacetamide
CID 21338870
(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 21934426
(2Z)-2-[2-[[(E)-[(1E)-1-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22616642
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 24756592

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide?
The IUPAC name of 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide (CID 56975562) is 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide.
What is the SMILES notation for 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide?
The canonical SMILES for 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide is C=C(NOCc1cccc(C(F)(F)F)c1)c1ccccc1C(=NOC)C(=O)NC.
What is the InChIKey of 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide?
The InChIKey is FAPSSOVCPLTPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-13(25-29-12-14-7-6-8-15(11-14)20(21,22)23)16-9-4-5-10-17(16)18(26-28-3)19(27)24-2/h4-11,25H,1,12H2,2-3H3,(H,24,27).
What are the key properties of 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide?
2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-methyl-2-[2-[1-[[3-(trifluoromethyl)phenyl]methoxyamino]ethenyl]phenyl]acetamide is sourced from PubChem (CID 56975562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).