N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide

C15H19F3N2O2 — CID 110015166

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCC1O
InChIInChI=1S/C15H19F3N2O2/c1-20(2)12-7-6-9(15(16,17)18)8-11(12)19-14(22)10-4-3-5-13(10)21/h6-8,10,13,21H,3-5H2,1-2H3,(H,19,22)
InChIKeyZZRJFCZTVGXAEJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.87
Rot. Bonds3

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110015166) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110015166
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCC1O
InChIInChI=1S/C15H19F3N2O2/c1-20(2)12-7-6-9(15(16,17)18)8-11(12)19-14(22)10-4-3-5-13(10)21/h6-8,10,13,21H,3-5H2,1-2H3,(H,19,22)
InChIKeyZZRJFCZTVGXAEJ-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55522102
1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
CID 110890918
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119706448
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 51152144
4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029595
(2R)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 96997978
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 75471105
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015008

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide (CID 110015166) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCCC1O.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is ZZRJFCZTVGXAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-20(2)12-7-6-9(15(16,17)18)8-11(12)19-14(22)10-4-3-5-13(10)21/h6-8,10,13,21H,3-5H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110015166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).