methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate

C21H19FN2O4 — CID 162434719

IUPACmethyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1cccc(C)c1CO/N=C1\C=Cc2ccc(F)cc21
InChIInChI=1S/C21H19FN2O4/c1-13-5-4-6-16(20(24-27-3)21(25)26-2)18(13)12-28-23-19-10-8-14-7-9-15(22)11-17(14)19/h4-11H,12H2,1-3H3/b23-19+,24-20+
InChIKeyCQZCCXAMCIHPEA-BLVCXSLXSA-N
MW382.39 g/mol
LogP3.61
Rot. Bonds6

About methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate

methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate (PubChem CID 162434719) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
PubChem CID162434719
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Namemethyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1cccc(C)c1CO/N=C1\C=Cc2ccc(F)cc21
InChIInChI=1S/C21H19FN2O4/c1-13-5-4-6-16(20(24-27-3)21(25)26-2)18(13)12-28-23-19-10-8-14-7-9-15(22)11-17(14)19/h4-11H,12H2,1-3H3/b23-19+,24-20+
InChIKeyCQZCCXAMCIHPEA-BLVCXSLXSA-N
XLogP3.61
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate 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

methyl (2E)-2-[2-[[(E)-1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024413
methyl (2E)-2-[2-[[(E)-1-(2,3-difluoro-5-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 166815558
methyl (2E)-2-[2-[[(E)-1-(2-fluoro-6-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024116
methyl (2E)-2-[2-[[(E)-1-(3-bromo-2-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157023853
methyl (2E)-2-[2-[[(E)-[4-(difluoromethoxy)-2,3-dihydroinden-1-ylidene]amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 162434693
(2E)-2-[2-[[(E)-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 170087806
methyl (2E)-2-[2-[[(E)-1-(2-ethoxyphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024244
methyl (2E)-2-[2-[[(E)-1-(3-ethynyl-5-fluorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024351
methyl (2E)-2-[2-[[(E)-[3-amino-5-(4-fluorophenyl)-5-oxopent-3-en-2-ylidene]amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 162729233
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-pyridin-4-ylethylideneamino]oxymethyl]phenyl]acetate
CID 162729279
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-(3-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetate
CID 157024030
methyl (2E)-2-[2-[[(E)-1-(3-tert-butylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 157024249

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate (CID 162434719) is methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate is CO/N=C(/C(=O)OC)c1cccc(C)c1CO/N=C1\C=Cc2ccc(F)cc21.
What is the InChIKey of methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate?
The InChIKey is CQZCCXAMCIHPEA-BLVCXSLXSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-13-5-4-6-16(20(24-27-3)21(25)26-2)18(13)12-28-23-19-10-8-14-7-9-15(22)11-17(14)19/h4-11H,12H2,1-3H3/b23-19+,24-20+.
What are the key properties of methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate?
methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate has a molecular weight of 382.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[2-[[(E)-(6-fluoroinden-1-ylidene)amino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate is sourced from PubChem (CID 162434719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).