2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

C14H12BrFN2O — CID 103753880

IUPAC2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-18(9-10-2-4-12(16)5-3-10)14(19)11-6-7-17-13(15)8-11/h2-8H,9H2,1H3
InChIKeyGTIJOUHHKKFTSQ-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.26
Rot. Bonds3

About 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 103753880) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID103753880
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H12BrFN2O/c1-18(9-10-2-4-12(16)5-3-10)14(19)11-6-7-17-13(15)8-11/h2-8H,9H2,1H3
InChIKeyGTIJOUHHKKFTSQ-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.26
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

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103801002
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 55041871
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 103753880) is 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is GTIJOUHHKKFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-18(9-10-2-4-12(16)5-3-10)14(19)11-6-7-17-13(15)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103753880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).