(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide

C21H25FN2O2 — CID 124777649

IUPAC(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCCOC[C@@H]1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c1-2-26-15-16-12-13-24(14-16)20(17-6-4-3-5-7-17)21(25)23-19-10-8-18(22)9-11-19/h3-11,16,20H,2,12-15H2,1H3,(H,23,25)/t16-,20-/m1/s1
InChIKeyWMMXOHNOHWSBNJ-OXQOHEQNSA-N
MW356.44 g/mol
LogP3.86
Rot. Bonds7

About (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide

(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 124777649) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID124777649
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESCCOC[C@@H]1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1
InChIInChI=1S/C21H25FN2O2/c1-2-26-15-16-12-13-24(14-16)20(17-6-4-3-5-7-17)21(25)23-19-10-8-18(22)9-11-19/h3-11,16,20H,2,12-15H2,1H3,(H,23,25)/t16-,20-/m1/s1
InChIKeyWMMXOHNOHWSBNJ-OXQOHEQNSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294
3-[1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100950
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55910553
(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
CID 124590924
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
ethyl (3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724183
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774242
(2S)-N-(4-fluorophenyl)-2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylacetamide
CID 26047039
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide (CID 124777649) is (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide is CCOC[C@@H]1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is WMMXOHNOHWSBNJ-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-26-15-16-12-13-24(14-16)20(17-6-4-3-5-7-17)21(25)23-19-10-8-18(22)9-11-19/h3-11,16,20H,2,12-15H2,1H3,(H,23,25)/t16-,20-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide?
(2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 356.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 124777649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).