2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C17H24F3N3O — CID 124852434

IUPAC2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCN(C)[C@@H]1CCN(CC(=O)NCCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N3O/c1-22(2)15-7-9-23(11-15)12-16(24)21-8-6-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyUTDTZOAPAFQLJN-OAHLLOKOSA-N
MW343.39 g/mol
LogP2.00
Rot. Bonds6

About 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 124852434) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID124852434
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCN(C)[C@@H]1CCN(CC(=O)NCCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N3O/c1-22(2)15-7-9-23(11-15)12-16(24)21-8-6-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyUTDTZOAPAFQLJN-OAHLLOKOSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 91841682
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 157016308
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 124852047
N-(2-cyanoethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 34706072
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide
CID 125162554
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 119070408
N-ethyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8861904
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 124852434) is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CN(C)[C@@H]1CCN(CC(=O)NCCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is UTDTZOAPAFQLJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-22(2)15-7-9-23(11-15)12-16(24)21-8-6-13-4-3-5-14(10-13)17(18,19)20/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 124852434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).