6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide

C15H14BrFN2O — CID 66462106

IUPAC6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrFN2O/c1-10(11-3-6-13(17)7-4-11)19(2)15(20)12-5-8-14(16)18-9-12/h3-10H,1-2H3
InChIKeyMCEZPVBHZKDFMX-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.82
Rot. Bonds3

About 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide

6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 66462106) 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-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID66462106
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1ccc(Br)nc1
InChIInChI=1S/C15H14BrFN2O/c1-10(11-3-6-13(17)7-4-11)19(2)15(20)12-5-8-14(16)18-9-12/h3-10H,1-2H3
InChIKeyMCEZPVBHZKDFMX-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

4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874191
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427
6-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 115669895
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 134003966
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
6-methoxy-N-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 134031462
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 103817080
N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide (CID 66462106) is 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MCEZPVBHZKDFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10(11-3-6-13(17)7-4-11)19(2)15(20)12-5-8-14(16)18-9-12/h3-10H,1-2H3.
What are the key properties of 6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide?
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-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-3-carboxamide is sourced from PubChem (CID 66462106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).