2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

C17H24BrFN2O2 — CID 9472975

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESC[C@H]1CCCCN1CCCNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C17H24BrFN2O2/c1-13-5-2-3-9-21(13)10-4-8-20-17(22)12-23-16-7-6-14(19)11-15(16)18/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyJMQNLKIDNKBUET-ZDUSSCGKSA-N
MW387.29 g/mol
LogP3.35
Rot. Bonds7

About 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 9472975) has the molecular formula C17H24BrFN2O2 and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
PubChem CID9472975
Molecular FormulaC17H24BrFN2O2
Molecular Weight387.29 g/mol
Exact Mass386.10
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESC[C@H]1CCCCN1CCCNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C17H24BrFN2O2/c1-13-5-2-3-9-21(13)10-4-8-20-17(22)12-23-16-7-6-14(19)11-15(16)18/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyJMQNLKIDNKBUET-ZDUSSCGKSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472760
2-(2-bromo-4-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2392820
2-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 55717369
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887
4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]butanoic acid
CID 43239243
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 47040952
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 51221562
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 119619857

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (CID 9472975) is 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is C[C@H]1CCCCN1CCCNC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is JMQNLKIDNKBUET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24BrFN2O2/c1-13-5-2-3-9-21(13)10-4-8-20-17(22)12-23-16-7-6-14(19)11-15(16)18/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 387.29 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 9472975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).