methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate

C17H15FN2O3 — CID 168908043

IUPACmethyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/N(C)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O3/c1-20(16(21)14-5-3-4-6-15(14)18)19-11-12-7-9-13(10-8-12)17(22)23-2/h3-11H,1-2H3/b19-11+
InChIKeyNVJHIOGBUOGFHU-YBFXNURJSA-N
MW314.32 g/mol
LogP2.72
Rot. Bonds4

About methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate

methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate (PubChem CID 168908043) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate
PubChem CID168908043
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Namemethyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N/N(C)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H15FN2O3/c1-20(16(21)14-5-3-4-6-15(14)18)19-11-12-7-9-13(10-8-12)17(22)23-2/h3-11H,1-2H3/b19-11+
InChIKeyNVJHIOGBUOGFHU-YBFXNURJSA-N
XLogP2.72
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
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

methyl 2-fluoro-4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate
CID 168908012
methyl 4-[(E)-[methyl-[3-(trifluoromethyl)pyridine-4-carbonyl]hydrazinylidene]methyl]benzoate
CID 168907874
methyl 4-[(diphenylhydrazinylidene)methyl]benzoate
CID 5187336
methyl 4-[(E)-[(2,4-difluorobenzoyl)-methylhydrazinylidene]methyl]-3-fluorobenzoate
CID 168907917
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
[4-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 6114048
methyl 4-[[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]benzoate
CID 3659610
4-[(E)-[[2-(dimethylamino)benzoyl]-methylhydrazinylidene]methyl]-3-fluoro-N-hydroxybenzamide
CID 168907975
methyl 4-[(E)-3-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]-2-(2-fluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 25265171
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626
dimethyl 5-(2-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 2462733

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate (CID 168908043) is methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N/N(C)C(=O)c2ccccc2F)cc1.
What is the InChIKey of methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate?
The InChIKey is NVJHIOGBUOGFHU-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-20(16(21)14-5-3-4-6-15(14)18)19-11-12-7-9-13(10-8-12)17(22)23-2/h3-11H,1-2H3/b19-11+.
What are the key properties of methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate?
methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate has a molecular weight of 314.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-[(2-fluorobenzoyl)-methylhydrazinylidene]methyl]benzoate is sourced from PubChem (CID 168908043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).