N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide

C17H15FN2O5 — CID 4682218

IUPACN'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15FN2O5/c1-10(25-13-5-3-12(18)4-6-13)16(21)19-20-17(22)11-2-7-14-15(8-11)24-9-23-14/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQIGHOONMTWBOAF-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.78
Rot. Bonds4

About N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide

N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 4682218) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID4682218
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC NameN'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15FN2O5/c1-10(25-13-5-3-12(18)4-6-13)16(21)19-20-17(22)11-2-7-14-15(8-11)24-9-23-14/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQIGHOONMTWBOAF-UHFFFAOYSA-N
XLogP1.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.78
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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Related Compounds

N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657
2-(1,3-benzodioxol-5-yloxy)-1-(4-fluorophenyl)propan-1-one
CID 43413295
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9343683
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
3-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-hydroxybenzohydrazide
CID 31720433
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401144

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide (CID 4682218) is N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is QIGHOONMTWBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5/c1-10(25-13-5-3-12(18)4-6-13)16(21)19-20-17(22)11-2-7-14-15(8-11)24-9-23-14/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 346.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)propanoyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 4682218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).