2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide

C20H25FN2O3 — CID 18285136

IUPAC2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25FN2O3/c21-16-3-1-2-4-17(16)26-12-19(25)23-22-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,24)(H,23,25)
InChIKeyTWJPEUDYTUOZSW-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.96
Rot. Bonds5

About 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide

2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide (PubChem CID 18285136) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
PubChem CID18285136
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25FN2O3/c21-16-3-1-2-4-17(16)26-12-19(25)23-22-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,24)(H,23,25)
InChIKeyTWJPEUDYTUOZSW-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 7917948
2-(1-adamantyl)-N'-[2-(2,3-dimethylphenoxy)acetyl]acetohydrazide
CID 8801829
2-(1-adamantyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 9475144
N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide
CID 7917872
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
N'-[2-(2-tert-butylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 24538359
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
2-(1-adamantyl)-N'-[2-(2,2,2-trifluoroethoxy)acetyl]acetohydrazide
CID 86990345
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide (CID 18285136) is 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide is O=C(COc1ccccc1F)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The InChIKey is TWJPEUDYTUOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-16-3-1-2-4-17(16)26-12-19(25)23-22-18(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,24)(H,23,25).
What are the key properties of 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide has a molecular weight of 360.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 18285136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).