N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide

C14H12BrFN2O — CID 113349881

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc(Br)ccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-12(6-7-13(15)17-9)18-14(19)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyOICLKFGDABEUSE-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.47
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide (PubChem CID 113349881) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
PubChem CID113349881
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc(Br)ccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9-12(6-7-13(15)17-9)18-14(19)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyOICLKFGDABEUSE-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(2-bromo-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 103753599
N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050904
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
2-(3-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)acetamide
CID 71919212
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
CID 62099099
N-(2-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 43134285
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide (CID 113349881) is N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide is Cc1nc(Br)ccc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is OICLKFGDABEUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9-12(6-7-13(15)17-9)18-14(19)8-10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 323.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113349881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).