2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide

C18H17FN2O5 — CID 3612763

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17FN2O5/c19-13-2-1-3-14(10-13)26-11-18(23)21-20-17(22)9-12-4-5-15-16(8-12)25-7-6-24-15/h1-5,8,10H,6-7,9,11H2,(H,20,22)(H,21,23)
InChIKeyBFFPHARLOUUKSD-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.37
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide (PubChem CID 3612763) has the molecular formula C18H17FN2O5 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
PubChem CID3612763
Molecular FormulaC18H17FN2O5
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNC(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17FN2O5/c19-13-2-1-3-14(10-13)26-11-18(23)21-20-17(22)9-12-4-5-15-16(8-12)25-7-6-24-15/h1-5,8,10H,6-7,9,11H2,(H,20,22)(H,21,23)
InChIKeyBFFPHARLOUUKSD-UHFFFAOYSA-N
XLogP1.37
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.37
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 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide (CID 3612763) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide is O=C(COc1cccc(F)c1)NNC(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
The InChIKey is BFFPHARLOUUKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5/c19-13-2-1-3-14(10-13)26-11-18(23)21-20-17(22)9-12-4-5-15-16(8-12)25-7-6-24-15/h1-5,8,10H,6-7,9,11H2,(H,20,22)(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide has a molecular weight of 360.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 3612763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).