2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide

C22H26F4N2O2 — CID 55705796

IUPAC2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C22H26F4N2O2/c23-17-2-1-16(18(6-17)22(24,25)26)11-27-20(30)12-28-19(29)10-21-7-13-3-14(8-21)5-15(4-13)9-21/h1-2,6,13-15H,3-5,7-12H2,(H,27,30)(H,28,29)
InChIKeyKZHNFHOWBRSCGD-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.18
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide (PubChem CID 55705796) has the molecular formula C22H26F4N2O2 and a molecular weight of 426.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide
PubChem CID55705796
Molecular FormulaC22H26F4N2O2
Molecular Weight426.45 g/mol
Exact Mass426.19
IUPAC Name2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C22H26F4N2O2/c23-17-2-1-16(18(6-17)22(24,25)26)11-27-20(30)12-28-19(29)10-21-7-13-3-14(8-21)5-15(4-13)9-21/h1-2,6,13-15H,3-5,7-12H2,(H,27,30)(H,28,29)
InChIKeyKZHNFHOWBRSCGD-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 166185352
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
2-(1-adamantyl)-N-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 9221124
(5-fluoro-2-methoxyphenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309705
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360297
1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24664912
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
2-(1-adamantyl)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]acetamide
CID 55560590
2-(1-adamantyl)-N-[2-oxo-2-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]ethyl]acetamide
CID 31872240
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 60556274
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide (CID 55705796) is 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide is O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide?
The InChIKey is KZHNFHOWBRSCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N2O2/c23-17-2-1-16(18(6-17)22(24,25)26)11-27-20(30)12-28-19(29)10-21-7-13-3-14(8-21)5-15(4-13)9-21/h1-2,6,13-15H,3-5,7-12H2,(H,27,30)(H,28,29).
What are the key properties of 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide has a molecular weight of 426.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 55705796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).