N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide

C17H21BrN2O3 — CID 26177274

IUPACN'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H21BrN2O3/c18-14-2-1-13(23-14)16(22)20-19-15(21)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,19,21)(H,20,22)
InChIKeyFUWDOMOFHOWVCA-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.41
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide

N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide (PubChem CID 26177274) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide
PubChem CID26177274
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC NameN'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H21BrN2O3/c18-14-2-1-13(23-14)16(22)20-19-15(21)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,19,21)(H,20,22)
InChIKeyFUWDOMOFHOWVCA-UHFFFAOYSA-N
XLogP3.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide (CID 26177274) is N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(Br)o1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide?
The InChIKey is FUWDOMOFHOWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c18-14-2-1-13(23-14)16(22)20-19-15(21)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide?
N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide has a molecular weight of 381.27 g/mol, XLogP of 3.41, 3 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]-5-bromofuran-2-carbohydrazide is sourced from PubChem (CID 26177274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).