2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide

C21H25FN2O6 — CID 24638285

IUPAC2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O6/c1-13(30-16-8-6-15(22)7-9-16)21(26)24-23-19(25)10-5-14-11-17(27-2)20(29-4)18(12-14)28-3/h6-9,11-13H,5,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMQRJSCHTXHJRAQ-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.40
Rot. Bonds9

About 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide

2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide (PubChem CID 24638285) has the molecular formula C21H25FN2O6 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
PubChem CID24638285
Molecular FormulaC21H25FN2O6
Molecular Weight420.44 g/mol
Exact Mass420.17
IUPAC Name2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O6/c1-13(30-16-8-6-15(22)7-9-16)21(26)24-23-19(25)10-5-14-11-17(27-2)20(29-4)18(12-14)28-3/h6-9,11-13H,5,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMQRJSCHTXHJRAQ-UHFFFAOYSA-N
XLogP2.40
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9091757
(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 7910894
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 43004148
(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
N'-[2-(2,4-dimethoxyphenyl)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 46521372
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
The IUPAC name of 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide (CID 24638285) is 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
The canonical SMILES for 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide is COc1cc(CCC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
The InChIKey is MQRJSCHTXHJRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O6/c1-13(30-16-8-6-15(22)7-9-16)21(26)24-23-19(25)10-5-14-11-17(27-2)20(29-4)18(12-14)28-3/h6-9,11-13H,5,10H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide?
2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide has a molecular weight of 420.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 24638285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).