N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide

C13H9BrF2N2O — CID 113383975

IUPACN-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)cc(F)c2)cnc1Br
InChIInChI=1S/C13H9BrF2N2O/c1-7-2-11(6-17-12(7)14)18-13(19)8-3-9(15)5-10(16)4-8/h2-6H,1H3,(H,18,19)
InChIKeyLFUPSOYXYKWALC-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.68
Rot. Bonds2

About N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide

N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide (PubChem CID 113383975) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide
PubChem CID113383975
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)cc(F)c2)cnc1Br
InChIInChI=1S/C13H9BrF2N2O/c1-7-2-11(6-17-12(7)14)18-13(19)8-3-9(15)5-10(16)4-8/h2-6H,1H3,(H,18,19)
InChIKeyLFUPSOYXYKWALC-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.68
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

N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114050472
4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 114050470
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
CID 25224306
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3-amino-N-(6-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051412
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide?
The IUPAC name of N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide (CID 113383975) is N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide is Cc1cc(NC(=O)c2cc(F)cc(F)c2)cnc1Br.
What is the InChIKey of N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide?
The InChIKey is LFUPSOYXYKWALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c1-7-2-11(6-17-12(7)14)18-13(19)8-3-9(15)5-10(16)4-8/h2-6H,1H3,(H,18,19).
What are the key properties of N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide?
N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide has a molecular weight of 327.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide is sourced from PubChem (CID 113383975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).