2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide

C15H21BrN2O2 — CID 9087668

IUPAC2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
SMILESCCN1CCC[C@H]1CNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-2-18-9-3-4-13(18)10-17-15(19)11-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyULNYLBOVOHUTOE-ZDUSSCGKSA-N
MW341.25 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide

2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 9087668) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
PubChem CID9087668
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
SMILESCCN1CCC[C@H]1CNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-2-18-9-3-4-13(18)10-17-15(19)11-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyULNYLBOVOHUTOE-ZDUSSCGKSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087672
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylphenoxy)acetamide
CID 9087674
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 8839794
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
2-(3-chloro-4-fluorophenoxy)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 124754501
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
4-butoxy-N-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 60589470
1-(4-bromophenoxy)-3-[(1-ethylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 60632855
N-cyclopropyl-2-[4-[2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111261147
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide (CID 9087668) is 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide is CCN1CCC[C@H]1CNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is ULNYLBOVOHUTOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-2-18-9-3-4-13(18)10-17-15(19)11-20-14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 9087668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).