N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide

C21H27FN2O3 — CID 9326362

IUPACN'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C21H27FN2O3/c1-27-18-3-2-13(7-17(18)22)8-19(25)23-24-20(26)12-21-9-14-4-15(10-21)6-16(5-14)11-21/h2-3,7,14-16H,4-6,8-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyAODMXOKBNVJRAN-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.13
Rot. Bonds5

About N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide

N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide (PubChem CID 9326362) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
PubChem CID9326362
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC NameN'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C21H27FN2O3/c1-27-18-3-2-13(7-17(18)22)8-19(25)23-24-20(26)12-21-9-14-4-15(10-21)6-16(5-14)11-21/h2-3,7,14-16H,4-6,8-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyAODMXOKBNVJRAN-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.13
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

N'-[2-(1-adamantyl)acetyl]-3-(3,4-difluorophenyl)propanehydrazide
CID 55605333
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309705
2-[4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9086076
N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066
2-(1-adamantyl)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515821
N-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27562092
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
2-(3-fluoro-4-methoxyphenyl)-1-(thiolan-2-yl)ethanone
CID 80622986
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349
2-(3-fluoro-4-methoxyphenyl)-1-(8-thiabicyclo[3.2.1]octan-3-yl)ethanone
CID 171940849

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide (CID 9326362) is N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide is COc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1F.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide?
The InChIKey is AODMXOKBNVJRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-27-18-3-2-13(7-17(18)22)8-19(25)23-24-20(26)12-21-9-14-4-15(10-21)6-16(5-14)11-21/h2-3,7,14-16H,4-6,8-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide?
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide has a molecular weight of 374.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 9326362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).