6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide

C15H13BrF2N2O — CID 103874208

IUPAC6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C15H13BrF2N2O/c1-9(10-6-7-11(17)12(18)8-10)20(2)15(21)13-4-3-5-14(16)19-13/h3-9H,1-2H3
InChIKeyHUDPRJCNXULOFA-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.96
Rot. Bonds3

About 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide

6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 103874208) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID103874208
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(Br)n1
InChIInChI=1S/C15H13BrF2N2O/c1-9(10-6-7-11(17)12(18)8-10)20(2)15(21)13-4-3-5-14(16)19-13/h3-9H,1-2H3
InChIKeyHUDPRJCNXULOFA-UHFFFAOYSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.96
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-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874191
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625425
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
3-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N,1-dimethylindole-2-carboxamide
CID 55665914
5-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851696
5-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851695
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052946
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide (CID 103874208) is 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is HUDPRJCNXULOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-9(10-6-7-11(17)12(18)8-10)20(2)15(21)13-4-3-5-14(16)19-13/h3-9H,1-2H3.
What are the key properties of 6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide?
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 355.18 g/mol, XLogP of 3.96, 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-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 103874208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).