N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide

C14H12ClFN2O — CID 113250442

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-3-4-12(16)11(5-8)14(19)18-10-6-9(2)13(15)17-7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyOWALRBULFLEXJY-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.74
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide (PubChem CID 113250442) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
PubChem CID113250442
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-3-4-12(16)11(5-8)14(19)18-10-6-9(2)13(15)17-7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyOWALRBULFLEXJY-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.74
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-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N-[6-(dimethylamino)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 62512980
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide (CID 113250442) is N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cnc(Cl)c(C)c2)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide?
The InChIKey is OWALRBULFLEXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-3-4-12(16)11(5-8)14(19)18-10-6-9(2)13(15)17-7-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 113250442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).