5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide

C16H16BrFN2O2 — CID 67383222

IUPAC5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide
SMILESCCN(CC)C(=O)c1cc(Br)ccc1Oc1cccc(F)n1
InChIInChI=1S/C16H16BrFN2O2/c1-3-20(4-2)16(21)12-10-11(17)8-9-13(12)22-15-7-5-6-14(18)19-15/h5-10H,3-4H2,1-2H3
InChIKeyRAFXQPZVOHFREV-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.26
Rot. Bonds5

About 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide

5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide (PubChem CID 67383222) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide
PubChem CID67383222
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide
SMILESCCN(CC)C(=O)c1cc(Br)ccc1Oc1cccc(F)n1
InChIInChI=1S/C16H16BrFN2O2/c1-3-20(4-2)16(21)12-10-11(17)8-9-13(12)22-15-7-5-6-14(18)19-15/h5-10H,3-4H2,1-2H3
InChIKeyRAFXQPZVOHFREV-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide?
The IUPAC name of 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide (CID 67383222) is 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide?
The canonical SMILES for 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide is CCN(CC)C(=O)c1cc(Br)ccc1Oc1cccc(F)n1.
What is the InChIKey of 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide?
The InChIKey is RAFXQPZVOHFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-3-20(4-2)16(21)12-10-11(17)8-9-13(12)22-15-7-5-6-14(18)19-15/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide?
5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide has a molecular weight of 367.22 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-[(6-fluoro-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 67383222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).