6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide

C15H14BrFN2O — CID 103874191

IUPAC6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C15H14BrFN2O/c1-10(11-6-8-12(17)9-7-11)19(2)15(20)13-4-3-5-14(16)18-13/h3-10H,1-2H3
InChIKeyURBMRJKGQDYJNW-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.82
Rot. Bonds3

About 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide

6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 103874191) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID103874191
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C15H14BrFN2O/c1-10(11-6-8-12(17)9-7-11)19(2)15(20)13-4-3-5-14(16)18-13/h3-10H,1-2H3
InChIKeyURBMRJKGQDYJNW-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 66462106
2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
CID 107982449
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 103817080
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
CID 103916984
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 113219634
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide (CID 103874191) is 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is URBMRJKGQDYJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10(11-6-8-12(17)9-7-11)19(2)15(20)13-4-3-5-14(16)18-13/h3-10H,1-2H3.
What are the key properties of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 337.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 103874191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).