N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide

C14H12BrFN2O — CID 113349854

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(Br)nc1C
InChIInChI=1S/C14H12BrFN2O/c1-8-7-10(16)3-4-11(8)14(19)18-12-5-6-13(15)17-9(12)2/h3-7H,1-2H3,(H,18,19)
InChIKeyANZCPJSIHROUND-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.85
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide

N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide (PubChem CID 113349854) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
PubChem CID113349854
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(Br)nc1C
InChIInChI=1S/C14H12BrFN2O/c1-8-7-10(16)3-4-11(8)14(19)18-12-5-6-13(15)17-9(12)2/h3-7H,1-2H3,(H,18,19)
InChIKeyANZCPJSIHROUND-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.85
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-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 114050876
N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671523
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722
N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 113349881
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide
CID 113358735
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide (CID 113349854) is N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ccc(Br)nc1C.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide?
The InChIKey is ANZCPJSIHROUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-7-10(16)3-4-11(8)14(19)18-12-5-6-13(15)17-9(12)2/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide?
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide has a molecular weight of 323.17 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 113349854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).