1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide

C20H20BrFN2O3 — CID 25477037

IUPAC1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1
InChIInChI=1S/C20H20BrFN2O3/c21-15-6-7-18(17(22)12-15)27-13-19(25)24-10-8-14(9-11-24)20(26)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,26)
InChIKeyHQEVFOLXVVAEEH-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.84
Rot. Bonds5

About 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 25477037) has the molecular formula C20H20BrFN2O3 and a molecular weight of 435.29 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID25477037
Molecular FormulaC20H20BrFN2O3
Molecular Weight435.29 g/mol
Exact Mass434.06
IUPAC Name1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1
InChIInChI=1S/C20H20BrFN2O3/c21-15-6-7-18(17(22)12-15)27-13-19(25)24-10-8-14(9-11-24)20(26)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,26)
InChIKeyHQEVFOLXVVAEEH-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30292786
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55813073
ethyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]piperidine-4-carboxylate
CID 78766115
methyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]pyrrolidine-3-carboxylate
CID 112733560
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 119485838
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251036
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
2-(4-bromo-2-fluorophenoxy)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 119637827

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide (CID 25477037) is 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is HQEVFOLXVVAEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN2O3/c21-15-6-7-18(17(22)12-15)27-13-19(25)24-10-8-14(9-11-24)20(26)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,26).
What are the key properties of 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 435.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 25477037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).