N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide

C13H8Cl2F2N2O — CID 103738259

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H8Cl2F2N2O/c1-6-4-10(14)18-12(15)11(6)19-13(20)8-5-7(16)2-3-9(8)17/h2-5H,1H3,(H,19,20)
InChIKeyQIWOPKHKGMBOFQ-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.23
Rot. Bonds2

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide (PubChem CID 103738259) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide
PubChem CID103738259
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H8Cl2F2N2O/c1-6-4-10(14)18-12(15)11(6)19-13(20)8-5-7(16)2-3-9(8)17/h2-5H,1H3,(H,19,20)
InChIKeyQIWOPKHKGMBOFQ-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.23
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

5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
CID 103738286
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 103738374
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide
CID 103738285
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
CID 114051088
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114051086
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide (CID 103738259) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide is Cc1cc(Cl)nc(Cl)c1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide?
The InChIKey is QIWOPKHKGMBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c1-6-4-10(14)18-12(15)11(6)19-13(20)8-5-7(16)2-3-9(8)17/h2-5H,1H3,(H,19,20).
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide has a molecular weight of 317.12 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide is sourced from PubChem (CID 103738259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).