N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide

C14H16F3NO2 — CID 56765420

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1CCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-6-4-9(5-7-11)12(19)8-18-13(20)10-2-1-3-10/h4-7,10,12,19H,1-3,8H2,(H,18,20)
InChIKeyPVFRJFFEUGQCHT-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.66
Rot. Bonds4

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide (PubChem CID 56765420) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide
PubChem CID56765420
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1CCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-6-4-9(5-7-11)12(19)8-18-13(20)10-2-1-3-10/h4-7,10,12,19H,1-3,8H2,(H,18,20)
InChIKeyPVFRJFFEUGQCHT-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.66
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
D-erythro-MAPP
CID 124735
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
(1S,2S)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 44532141
(1S,2S)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 44532142
(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683348
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,2-diphenylacetamide
CID 56765464
N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide
CID 71449426
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide
CID 71453038
N-(2-hydroxy-2-phenylethyl)tetradecanamide
CID 71454780
N-[2-hydroxy-2-(4-methylphenyl)ethyl]tetradecanamide
CID 71454782

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide (CID 56765420) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1CCC1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide?
The InChIKey is PVFRJFFEUGQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)11-6-4-9(5-7-11)12(19)8-18-13(20)10-2-1-3-10/h4-7,10,12,19H,1-3,8H2,(H,18,20).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.66, 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]cyclobutanecarboxamide is sourced from PubChem (CID 56765420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).