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

C20H24F3NO2 — CID 95368190

IUPACN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H](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)/t12?,13?,14?,17-,19?/m0/s1
InChIKeyIUJRKUZUPAFEJC-AFRKLYKTSA-N
MW367.41 g/mol
LogP4.07
Rot. Bonds4

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

N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide (PubChem CID 95368190) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
PubChem CID95368190
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
SMILESO=C(NC[C@H](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)/t12?,13?,14?,17-,19?/m0/s1
InChIKeyIUJRKUZUPAFEJC-AFRKLYKTSA-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-(3,4-difluorophenyl)-2-hydroxyethyl]adamantane-1-carboxamide
CID 42959545
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 95368233
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]adamantane-1-carboxamide
CID 97042470
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide (CID 95368190) is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide is O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
The InChIKey is IUJRKUZUPAFEJC-AFRKLYKTSA-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)/t12?,13?,14?,17-,19?/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide?
N-[(2R)-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-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 95368190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).