[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate

C20H15FN2O5 — CID 6908299

IUPAC[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
SMILESCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccco1
InChIInChI=1S/C20H15FN2O5/c1-26-18-11-13(4-9-16(18)28-20(25)17-3-2-10-27-17)12-22-23-19(24)14-5-7-15(21)8-6-14/h2-12H,1H3,(H,23,24)/b22-12+
InChIKeyZYYXIXLCRBNEET-WSDLNYQXSA-N
MW382.35 g/mol
LogP3.41
Rot. Bonds6

About [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate

[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate (PubChem CID 6908299) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
PubChem CID6908299
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
SMILESCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccco1
InChIInChI=1S/C20H15FN2O5/c1-26-18-11-13(4-9-16(18)28-20(25)17-3-2-10-27-17)12-22-23-19(24)14-5-7-15(21)8-6-14/h2-12H,1H3,(H,23,24)/b22-12+
InChIKeyZYYXIXLCRBNEET-WSDLNYQXSA-N
XLogP3.41
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
The IUPAC name of [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate (CID 6908299) is [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate is COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccco1.
What is the InChIKey of [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
The InChIKey is ZYYXIXLCRBNEET-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15FN2O5/c1-26-18-11-13(4-9-16(18)28-20(25)17-3-2-10-27-17)12-22-23-19(24)14-5-7-15(21)8-6-14/h2-12H,1H3,(H,23,24)/b22-12+.
What are the key properties of [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate?
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate has a molecular weight of 382.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate is sourced from PubChem (CID 6908299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).