N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide

C20H24F3NO2 — CID 56765449

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24F3NO2/c21-20(22,23)16-3-1-15(2-4-16)17(25)11-24-18(26)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,17,25H,5-11H2,(H,24,26)
InChIKeyIUJRKUZUPAFEJC-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.07
Rot. Bonds4

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide (PubChem CID 56765449) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
PubChem CID56765449
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24F3NO2/c21-20(22,23)16-3-1-15(2-4-16)17(25)11-24-18(26)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,17,25H,5-11H2,(H,24,26)
InChIKeyIUJRKUZUPAFEJC-UHFFFAOYSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,2-diphenylacetamide
CID 56765464
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide
CID 71453038
N-[2-hydroxy-2-(4-methylphenyl)ethyl]tetradecanamide
CID 71454782
N-[2-hydroxy-2-(4-propylphenyl)ethyl]tetradecanamide
CID 71458405
N-[2-(4-ethylphenyl)-2-hydroxyethyl]tetradecanamide
CID 71460247
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 53512872
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 56765459
N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide
CID 71453037
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 72002753
N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide
CID 56765357

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide (CID 56765449) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
The InChIKey is IUJRKUZUPAFEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c21-20(22,23)16-3-1-15(2-4-16)17(25)11-24-18(26)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,17,25H,5-11H2,(H,24,26).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 56765449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).