5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide

C15H14BrFN2O2 — CID 62954077

IUPAC5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H14BrFN2O2/c1-19(15(20)14-6-5-11(16)10-18-14)7-8-21-13-4-2-3-12(17)9-13/h2-6,9-10H,7-8H2,1H3
InChIKeyAEGKAAVSBITCMO-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.13
Rot. Bonds5

About 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide

5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 62954077) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID62954077
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H14BrFN2O2/c1-19(15(20)14-6-5-11(16)10-18-14)7-8-21-13-4-2-3-12(17)9-13/h2-6,9-10H,7-8H2,1H3
InChIKeyAEGKAAVSBITCMO-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide (CID 62954077) is 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide is CN(CCOc1cccc(F)c1)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is AEGKAAVSBITCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-19(15(20)14-6-5-11(16)10-18-14)7-8-21-13-4-2-3-12(17)9-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62954077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).