N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C20H17FN2O5 — CID 7601194

IUPACN'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H17FN2O5/c21-16-8-4-5-9-17(16)27-13-19(24)22-23-20(25)18-11-10-15(28-18)12-26-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyLMYGAXYKMJSDEG-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.84
Rot. Bonds7

About N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 7601194) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID7601194
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H17FN2O5/c21-16-8-4-5-9-17(16)27-13-19(24)22-23-20(25)18-11-10-15(28-18)12-26-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyLMYGAXYKMJSDEG-UHFFFAOYSA-N
XLogP2.84
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 7601194) is N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is LMYGAXYKMJSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5/c21-16-8-4-5-9-17(16)27-13-19(24)22-23-20(25)18-11-10-15(28-18)12-26-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 384.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 7601194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).