3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide

C14H18BrFN2O2 — CID 107956118

IUPAC3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESO=C(NCCOC1CCNCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O2/c15-12-9-10(1-2-13(12)16)14(19)18-7-8-20-11-3-5-17-6-4-11/h1-2,9,11,17H,3-8H2,(H,18,19)
InChIKeyJTPVQLKXRVNHPT-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.09
Rot. Bonds5

About 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide

3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide (PubChem CID 107956118) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
PubChem CID107956118
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
SMILESO=C(NCCOC1CCNCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O2/c15-12-9-10(1-2-13(12)16)14(19)18-7-8-20-11-3-5-17-6-4-11/h1-2,9,11,17H,3-8H2,(H,18,19)
InChIKeyJTPVQLKXRVNHPT-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.09
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

4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107728729
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 79217625
4-ethyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869936
N-(2-piperidin-4-yloxyethyl)-1H-indazole-6-carboxamide
CID 63871270
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 63870959
N-(2-piperidin-4-yloxyethyl)furan-3-carboxamide
CID 63870938
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide (CID 107956118) is 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide is O=C(NCCOC1CCNCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide?
The InChIKey is JTPVQLKXRVNHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-12-9-10(1-2-13(12)16)14(19)18-7-8-20-11-3-5-17-6-4-11/h1-2,9,11,17H,3-8H2,(H,18,19).
What are the key properties of 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide?
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide has a molecular weight of 345.21 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide is sourced from PubChem (CID 107956118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).