N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C21H21F4N3O3 — CID 110253898

IUPACN-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCCN2C(=O)COc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C21H21F4N3O3/c1-13(29)26-10-14-11-27-18(9-17(14)21(23,24)25)19-3-2-8-28(19)20(30)12-31-16-6-4-15(22)5-7-16/h4-7,9,11,19H,2-3,8,10,12H2,1H3,(H,26,29)
InChIKeyUWUNGRBTHYTZDC-UHFFFAOYSA-N
MW439.41 g/mol
LogP3.62
Rot. Bonds6

About N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 110253898) has the molecular formula C21H21F4N3O3 and a molecular weight of 439.41 g/mol. Its IUPAC name is N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID110253898
Molecular FormulaC21H21F4N3O3
Molecular Weight439.41 g/mol
Exact Mass439.15
IUPAC NameN-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CCCN2C(=O)COc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C21H21F4N3O3/c1-13(29)26-10-14-11-27-18(9-17(14)21(23,24)25)19-3-2-8-28(19)20(30)12-31-16-6-4-15(22)5-7-16/h4-7,9,11,19H,2-3,8,10,12H2,1H3,(H,26,29)
InChIKeyUWUNGRBTHYTZDC-UHFFFAOYSA-N
XLogP3.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816244
N-[[6-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 95816267
N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253855
1-[(2R)-2-[3-amino-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 92618462
N-[[6-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253910
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124973479
4-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 51338970
6-[(2S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125010069
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 51143344
2-(4-fluorophenoxy)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110247587

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 110253898) is N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cnc(C2CCCN2C(=O)COc2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is UWUNGRBTHYTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N3O3/c1-13(29)26-10-14-11-27-18(9-17(14)21(23,24)25)19-3-2-8-28(19)20(30)12-31-16-6-4-15(22)5-7-16/h4-7,9,11,19H,2-3,8,10,12H2,1H3,(H,26,29).
What are the key properties of N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 439.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110253898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).