N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide

C24H27BrN2O2 — CID 75669398

IUPACN'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)CC12CC3CC(CC(Br)(C3)C1)C2
InChIInChI=1S/C24H27BrN2O2/c25-24-12-16-8-17(13-24)11-23(10-16,15-24)14-22(29)27-26-21(28)9-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,16-17H,8-15H2,(H,26,28)(H,27,29)
InChIKeyBGTGLJJGHQCCJR-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.65
Rot. Bonds4

About N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide

N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide (PubChem CID 75669398) has the molecular formula C24H27BrN2O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide
PubChem CID75669398
Molecular FormulaC24H27BrN2O2
Molecular Weight455.40 g/mol
Exact Mass454.13
IUPAC NameN'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)CC12CC3CC(CC(Br)(C3)C1)C2
InChIInChI=1S/C24H27BrN2O2/c25-24-12-16-8-17(13-24)11-23(10-16,15-24)14-22(29)27-26-21(28)9-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,16-17H,8-15H2,(H,26,28)(H,27,29)
InChIKeyBGTGLJJGHQCCJR-UHFFFAOYSA-N
XLogP4.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide?
The IUPAC name of N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide (CID 75669398) is N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)CC12CC3CC(CC(Br)(C3)C1)C2.
What is the InChIKey of N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide?
The InChIKey is BGTGLJJGHQCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O2/c25-24-12-16-8-17(13-24)11-23(10-16,15-24)14-22(29)27-26-21(28)9-19-6-3-5-18-4-1-2-7-20(18)19/h1-7,16-17H,8-15H2,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide?
N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide has a molecular weight of 455.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromo-1-adamantyl)acetyl]-2-naphthalen-1-ylacetohydrazide is sourced from PubChem (CID 75669398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).