2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide

C14H18BrFN2O2 — CID 120601363

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)COc2ccc(Br)cc2F)CCN1
InChIInChI=1S/C14H18BrFN2O2/c1-9-6-11(4-5-17-9)18-14(19)8-20-13-3-2-10(15)7-12(13)16/h2-3,7,9,11,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyWMPZOLYHLACUDX-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.22
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 120601363) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID120601363
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)COc2ccc(Br)cc2F)CCN1
InChIInChI=1S/C14H18BrFN2O2/c1-9-6-11(4-5-17-9)18-14(19)8-20-13-3-2-10(15)7-12(13)16/h2-3,7,9,11,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyWMPZOLYHLACUDX-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120602502
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
CID 119457993
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
N-(2-methylpiperidin-4-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 120599567
2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 30776260
2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512967
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 42970246
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide (CID 120601363) is 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide is CC1CC(NC(=O)COc2ccc(Br)cc2F)CCN1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is WMPZOLYHLACUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-9-6-11(4-5-17-9)18-14(19)8-20-13-3-2-10(15)7-12(13)16/h2-3,7,9,11,17H,4-6,8H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 345.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120601363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).