3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide

C15H20BrFN2O2 — CID 63870959

IUPAC3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
SMILESO=C(NCCCOC1CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H20BrFN2O2/c16-12-8-11(9-13(17)10-12)15(20)19-4-1-7-21-14-2-5-18-6-3-14/h8-10,14,18H,1-7H2,(H,19,20)
InChIKeyFRHSPJSSSKUIFC-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.48
Rot. Bonds6

About 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide

3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide (PubChem CID 63870959) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
PubChem CID63870959
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
SMILESO=C(NCCCOC1CCNCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H20BrFN2O2/c16-12-8-11(9-13(17)10-12)15(20)19-4-1-7-21-14-2-5-18-6-3-14/h8-10,14,18H,1-7H2,(H,19,20)
InChIKeyFRHSPJSSSKUIFC-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
CID 63871118
3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
CID 106855106
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
3-bromo-N-[3-(cyclopropylamino)propyl]-5-fluorobenzamide
CID 43596337
3-chloro-2-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81264988
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107956118
2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81454510
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide (CID 63870959) is 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide is O=C(NCCCOC1CCNCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
The InChIKey is FRHSPJSSSKUIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c16-12-8-11(9-13(17)10-12)15(20)19-4-1-7-21-14-2-5-18-6-3-14/h8-10,14,18H,1-7H2,(H,19,20).
What are the key properties of 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide?
3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide has a molecular weight of 359.24 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide is sourced from PubChem (CID 63870959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).