2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide

C17H22F3NO2 — CID 110016521

IUPAC2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
SMILESCC(C)C(NC(=O)C1CCCC1O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO2/c1-10(2)15(21-16(23)13-4-3-5-14(13)22)11-6-8-12(9-7-11)17(18,19)20/h6-10,13-15,22H,3-5H2,1-2H3,(H,21,23)
InChIKeyAAVOFBABASVZKZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.68
Rot. Bonds4

About 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide

2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide (PubChem CID 110016521) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
PubChem CID110016521
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
SMILESCC(C)C(NC(=O)C1CCCC1O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H22F3NO2/c1-10(2)15(21-16(23)13-4-3-5-14(13)22)11-6-8-12(9-7-11)17(18,19)20/h6-10,13-15,22H,3-5H2,1-2H3,(H,21,23)
InChIKeyAAVOFBABASVZKZ-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]cyclopentane-1-carboxamide
CID 110013851
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
CID 120639730
2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268124
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289
3-(hydroxymethyl)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
CID 122150335
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 79378638
1-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130758
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexan-1-ol
CID 62366668
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015166

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide (CID 110016521) is 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide is CC(C)C(NC(=O)C1CCCC1O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
The InChIKey is AAVOFBABASVZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-10(2)15(21-16(23)13-4-3-5-14(13)22)11-6-8-12(9-7-11)17(18,19)20/h6-10,13-15,22H,3-5H2,1-2H3,(H,21,23).
What are the key properties of 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110016521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).