N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene

C24H28F5N3O2 — CID 154683887

IUPACN-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene
SMILESC=CF.CCCC(=O)N(CC12CCC(c3noc(C(C)(F)F)n3)(CC1)C2)c1ccc(F)c(F)c1
InChIInChI=1S/C22H25F4N3O2.C2H3F/c1-3-4-17(30)29(14-5-6-15(23)16(24)11-14)13-21-7-9-22(12-21,10-8-21)18-27-19(31-28-18)20(2,25)26;1-2-3/h5-6,11H,3-4,7-10,12-13H2,1-2H3;2H,1H2
InChIKeyJLPMZFYGFLMUCC-UHFFFAOYSA-N
MW485.50 g/mol
LogP6.59
Rot. Bonds7

About N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene (PubChem CID 154683887) has the molecular formula C24H28F5N3O2 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene.

Molecular Properties

Compound NameN-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene
PubChem CID154683887
Molecular FormulaC24H28F5N3O2
Molecular Weight485.50 g/mol
Exact Mass485.21
IUPAC NameN-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene
SMILESC=CF.CCCC(=O)N(CC12CCC(c3noc(C(C)(F)F)n3)(CC1)C2)c1ccc(F)c(F)c1
InChIInChI=1S/C22H25F4N3O2.C2H3F/c1-3-4-17(30)29(14-5-6-15(23)16(24)11-14)13-21-7-9-22(12-21,10-8-21)18-27-19(31-28-18)20(2,25)26;1-2-3/h5-6,11H,3-4,7-10,12-13H2,1-2H3;2H,1H2
InChIKeyJLPMZFYGFLMUCC-UHFFFAOYSA-N
XLogP6.59
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-N-(3-dimethylphosphorylphenyl)-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 154683935
N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(4-ethoxyphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 159353051
N-(3-bromophenyl)-N-[[1-[2-(trifluoromethyl)pyrimidin-5-yl]-2-oxabicyclo[2.2.2]octan-4-yl]methyl]butanamide;fluoroethene
CID 154682836
1-(3-cyanophenyl)-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea
CID 154684019
N-(4-bromo-2-pyridinyl)-N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-2-morpholin-4-ylacetamide
CID 171473836
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(2-hydroxy-2-methylpropoxy)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154684047
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171473978
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(5-methoxypyrimidin-2-yl)phenyl]acetamide
CID 171474351
3-(1-bicyclo[1.1.1]pentanyl)-1-(3-bromo-4-fluorophenyl)-1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[3.1.1]hept-4-enyl]methyl]urea
CID 155063857
(3-methyloxetan-3-yl) N-(3-bromophenyl)-N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 159425725
N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-hydroxy-3-methylcyclobutyl)-N-[3-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]acetamide
CID 171474320
tert-butyl N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(4-propan-2-yloxyphenyl)phenyl]carbamate
CID 161414399

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene?
The IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene (CID 154683887) is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene.
What is the SMILES notation for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene?
The canonical SMILES for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene is C=CF.CCCC(=O)N(CC12CCC(c3noc(C(C)(F)F)n3)(CC1)C2)c1ccc(F)c(F)c1.
What is the InChIKey of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene?
The InChIKey is JLPMZFYGFLMUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N3O2.C2H3F/c1-3-4-17(30)29(14-5-6-15(23)16(24)11-14)13-21-7-9-22(12-21,10-8-21)18-27-19(31-28-18)20(2,25)26;1-2-3/h5-6,11H,3-4,7-10,12-13H2,1-2H3;2H,1H2.
What are the key properties of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene?
N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene has a molecular weight of 485.50 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.1]heptanyl]methyl]-N-(3,4-difluorophenyl)butanamide;fluoroethene is sourced from PubChem (CID 154683887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).