22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide

C27H50FNO — CID 175975620

IUPAC22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)C2
InChIInChI=1S/C27H50FNO/c28-27-22-26(23-27,24-27)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25(29)30/h1-24H2,(H2,29,30)
InChIKeyDGEVZPSJAPVIFT-UHFFFAOYSA-N
MW423.70 g/mol
LogP8.56
Rot. Bonds22

About 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide

22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide (PubChem CID 175975620) has the molecular formula C27H50FNO and a molecular weight of 423.70 g/mol. Its IUPAC name is 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide.

Molecular Properties

Compound Name22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide
PubChem CID175975620
Molecular FormulaC27H50FNO
Molecular Weight423.70 g/mol
Exact Mass423.39
IUPAC Name22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)C2
InChIInChI=1S/C27H50FNO/c28-27-22-26(23-27,24-27)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25(29)30/h1-24H2,(H2,29,30)
InChIKeyDGEVZPSJAPVIFT-UHFFFAOYSA-N
XLogP8.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.70
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-(3-tridecyl-1-bicyclo[1.1.1]pentanyl)undecanamide
CID 175975616
7-(1-adamantyl)heptanamide
CID 173130136
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
copper;tridecanediamide
CID 159780260
cyclohexane;hexanediamide
CID 22340258
hexanediamide;hydrazine
CID 160978463
hexanediamide;hydrazine
CID 160854105
6-(1-methylcyclohexyl)hexanamide
CID 154219195
1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
CID 23208382

Frequently Asked Questions

What is the IUPAC name of 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide?
The IUPAC name of 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide (CID 175975620) is 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide.
What is the SMILES notation for 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide?
The canonical SMILES for 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide is NC(=O)CCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)C2.
What is the InChIKey of 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide?
The InChIKey is DGEVZPSJAPVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50FNO/c28-27-22-26(23-27,24-27)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25(29)30/h1-24H2,(H2,29,30).
What are the key properties of 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide?
22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide has a molecular weight of 423.70 g/mol, XLogP of 8.56, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3-fluoro-1-bicyclo[1.1.1]pentanyl)docosanamide is sourced from PubChem (CID 175975620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).