(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide

C15H19F3N2O2 — CID 95785736

IUPAC(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O2/c1-19(2)13(21)12(11-6-4-3-5-7-11)20-9-8-14(22,10-20)15(16,17)18/h3-7,12,22H,8-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyVCFVMKJWXOVYPW-TZMCWYRMSA-N
MW316.32 g/mol
LogP1.82
Rot. Bonds3

About (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide

(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 95785736) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide
PubChem CID95785736
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O2/c1-19(2)13(21)12(11-6-4-3-5-7-11)20-9-8-14(22,10-20)15(16,17)18/h3-7,12,22H,8-10H2,1-2H3/t12-,14-/m1/s1
InChIKeyVCFVMKJWXOVYPW-TZMCWYRMSA-N
XLogP1.82
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 110891598
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8692627
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 121203240
(3aS,6aR)-2-[2-(dimethylamino)-2-oxo-1-phenylethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681116
(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
CID 68913078
(3R)-1-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124856120
(3S)-1-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124856119
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 136511709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide (CID 95785736) is (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@@H](c1ccccc1)N1CC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is VCFVMKJWXOVYPW-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-19(2)13(21)12(11-6-4-3-5-7-11)20-9-8-14(22,10-20)15(16,17)18/h3-7,12,22H,8-10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
(2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 316.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 95785736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).