24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide

C42H78FNO7 — CID 174273376

IUPAC24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide
SMILESCCCC(O)C(CCC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)C2
InChIInChI=1S/C42H78FNO7/c1-2-24-34(46)33(26-27-35-38(48)40(50)39(49)36(29-45)51-35)44-37(47)25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28-41-30-42(43,31-41)32-41/h33-36,38-40,45-46,48-50H,2-32H2,1H3,(H,44,47)
InChIKeyDFJIIWJGJNMGJB-UHFFFAOYSA-N
MW728.08 g/mol
LogP8.12
Rot. Bonds32

About 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide

24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide (PubChem CID 174273376) has the molecular formula C42H78FNO7 and a molecular weight of 728.08 g/mol. Its IUPAC name is 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide.

Molecular Properties

Compound Name24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide
PubChem CID174273376
Molecular FormulaC42H78FNO7
Molecular Weight728.08 g/mol
Exact Mass727.58
IUPAC Name24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide
SMILESCCCC(O)C(CCC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)C2
InChIInChI=1S/C42H78FNO7/c1-2-24-34(46)33(26-27-35-38(48)40(50)39(49)36(29-45)51-35)44-37(47)25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28-41-30-42(43,31-41)32-41/h33-36,38-40,45-46,48-50H,2-32H2,1H3,(H,44,47)
InChIKeyDFJIIWJGJNMGJB-UHFFFAOYSA-N
XLogP8.12
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500728.08
LogP ≤ 58.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide with MolForge

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Related Compounds

CID 164916236
CID 164916236
CID 164916251
CID 164916251
CID 164916264
CID 164916264
CID 164916300
CID 164916300
CID 164916302
CID 164916302
CID 164916346
CID 164916346
CID 164916360
CID 164916360
CID 164916366
CID 164916366
CID 164916468
CID 164916468
CID 164916508
CID 164916508
CID 170682561
CID 170682561
CID 170682646
CID 170682646

Frequently Asked Questions

What is the IUPAC name of 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide?
The IUPAC name of 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide (CID 174273376) is 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide.
What is the SMILES notation for 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide?
The canonical SMILES for 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide is CCCC(O)C(CCC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC12CC(F)(C1)C2.
What is the InChIKey of 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide?
The InChIKey is DFJIIWJGJNMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H78FNO7/c1-2-24-34(46)33(26-27-35-38(48)40(50)39(49)36(29-45)51-35)44-37(47)25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28-41-30-42(43,31-41)32-41/h33-36,38-40,45-46,48-50H,2-32H2,1H3,(H,44,47).
What are the key properties of 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide?
24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide has a molecular weight of 728.08 g/mol, XLogP of 8.12, 32 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]heptan-3-yl]tetracosanamide is sourced from PubChem (CID 174273376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).