N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide

C13H10F2N2O — CID 103097809

IUPACN-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)nc2F)cc1
InChIInChI=1S/C13H10F2N2O/c1-8-2-4-9(5-3-8)13(18)16-10-6-7-11(14)17-12(10)15/h2-7H,1H3,(H,16,18)
InChIKeyQIYDGLHCPSZUCP-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.92
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide

N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide (PubChem CID 103097809) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
PubChem CID103097809
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)nc2F)cc1
InChIInChI=1S/C13H10F2N2O/c1-8-2-4-9(5-3-8)13(18)16-10-6-7-11(14)17-12(10)15/h2-7H,1H3,(H,16,18)
InChIKeyQIYDGLHCPSZUCP-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.92
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-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103098068
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,6-difluoro-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 103097715
N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512452
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
4-fluoro-N-(2-iodo-4-methylphenyl)benzamide
CID 531959
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103097885

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide (CID 103097809) is N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)nc2F)cc1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide?
The InChIKey is QIYDGLHCPSZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-8-2-4-9(5-3-8)13(18)16-10-6-7-11(14)17-12(10)15/h2-7H,1H3,(H,16,18).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide?
N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide has a molecular weight of 248.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 103097809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).