2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide

C16H17FN2O3S — CID 43017930

IUPAC2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccsc1
InChIInChI=1S/C16H17FN2O3S/c1-11(22-14-5-3-13(17)4-6-14)16(21)19-18-15(20)7-2-12-8-9-23-10-12/h3-6,8-11H,2,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyWZMFGQUDTBZVMW-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide

2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide (PubChem CID 43017930) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
PubChem CID43017930
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccsc1
InChIInChI=1S/C16H17FN2O3S/c1-11(22-14-5-3-13(17)4-6-14)16(21)19-18-15(20)7-2-12-8-9-23-10-12/h3-6,8-11H,2,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyWZMFGQUDTBZVMW-UHFFFAOYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
(2S)-N'-[3-(4-tert-butylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9160027
(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 24638285
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 40611154
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368009

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide?
The IUPAC name of 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide (CID 43017930) is 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide?
The canonical SMILES for 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1ccsc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide?
The InChIKey is WZMFGQUDTBZVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11(22-14-5-3-13(17)4-6-14)16(21)19-18-15(20)7-2-12-8-9-23-10-12/h3-6,8-11H,2,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide?
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide has a molecular weight of 336.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide is sourced from PubChem (CID 43017930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).