4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide

C24H23FN2O4 — CID 46632974

IUPAC4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
SMILESO=C(CCCOc1ccc(F)cc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23FN2O4/c25-19-12-14-20(15-13-19)30-16-6-11-23(28)26-27-24(29)17-31-22-10-5-4-9-21(22)18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,28)(H,27,29)
InChIKeyOTWYSZKRNCIQFC-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.88
Rot. Bonds9

About 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide

4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide (PubChem CID 46632974) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
PubChem CID46632974
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
SMILESO=C(CCCOc1ccc(F)cc1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23FN2O4/c25-19-12-14-20(15-13-19)30-16-6-11-23(28)26-27-24(29)17-31-22-10-5-4-9-21(22)18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,28)(H,27,29)
InChIKeyOTWYSZKRNCIQFC-UHFFFAOYSA-N
XLogP3.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978332
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
3-phenylpropyl 4-oxo-4-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]butanoate
CID 4934424
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978371
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
The IUPAC name of 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide (CID 46632974) is 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
The canonical SMILES for 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide is O=C(CCCOc1ccc(F)cc1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
The InChIKey is OTWYSZKRNCIQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c25-19-12-14-20(15-13-19)30-16-6-11-23(28)26-27-24(29)17-31-22-10-5-4-9-21(22)18-7-2-1-3-8-18/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,28)(H,27,29).
What are the key properties of 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide?
4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide has a molecular weight of 422.46 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 46632974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).