N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide

C17H21F2NO2 — CID 177351972

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide
SMILESC[C@H](NC(=O)CC12CCC(CC1)CO2)c1ccc(F)cc1F
InChIInChI=1S/C17H21F2NO2/c1-11(14-3-2-13(18)8-15(14)19)20-16(21)9-17-6-4-12(5-7-17)10-22-17/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,20,21)/t11-,12?,17?/m0/s1
InChIKeyIJGIPSGXXKGFJV-DLGFLZQMSA-N
MW309.36 g/mol
LogP3.49
Rot. Bonds4

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide (PubChem CID 177351972) has the molecular formula C17H21F2NO2 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide
PubChem CID177351972
Molecular FormulaC17H21F2NO2
Molecular Weight309.36 g/mol
Exact Mass309.15
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide
SMILESC[C@H](NC(=O)CC12CCC(CC1)CO2)c1ccc(F)cc1F
InChIInChI=1S/C17H21F2NO2/c1-11(14-3-2-13(18)8-15(14)19)20-16(21)9-17-6-4-12(5-7-17)10-22-17/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,20,21)/t11-,12?,17?/m0/s1
InChIKeyIJGIPSGXXKGFJV-DLGFLZQMSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide with MolForge

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-4-yl)acetamide
CID 177351833
2-(1-adamantyl)-N-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 9221124
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
1-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115452365
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-4-yl)acetamide;6-fluoro-1H-quinazoline-2,4-dione;molecular hydrogen
CID 177351832
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(3S)-thiolan-3-yl]amino]acetamide
CID 98853448
N-[1-(2,4-difluorophenyl)ethyl]-2-[methyl(thiolan-3-yl)amino]acetamide
CID 75433455
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide (CID 177351972) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide is C[C@H](NC(=O)CC12CCC(CC1)CO2)c1ccc(F)cc1F.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide?
The InChIKey is IJGIPSGXXKGFJV-DLGFLZQMSA-N. The full InChI is InChI=1S/C17H21F2NO2/c1-11(14-3-2-13(18)8-15(14)19)20-16(21)9-17-6-4-12(5-7-17)10-22-17/h2-3,8,11-12H,4-7,9-10H2,1H3,(H,20,21)/t11-,12?,17?/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide has a molecular weight of 309.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxabicyclo[2.2.2]octan-1-yl)acetamide is sourced from PubChem (CID 177351972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).