N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide

C13H10BrFN2O — CID 113343049

IUPACN-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-4-9(6-10(15)5-8)13(18)17-12-2-3-16-7-11(12)14/h2-7H,1H3,(H,16,17,18)
InChIKeyUABKXFZVCJFODI-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide

N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide (PubChem CID 113343049) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide
PubChem CID113343049
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccncc2Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-4-9(6-10(15)5-8)13(18)17-12-2-3-16-7-11(12)14/h2-7H,1H3,(H,16,17,18)
InChIKeyUABKXFZVCJFODI-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115869327
4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
CID 112548050
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952
N-(2-bromo-5-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
3-[(3-bromo-5-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 104850800
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
N-(2-bromo-4-fluorophenyl)pyridine-4-carboxamide
CID 28938574
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide (CID 113343049) is N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccncc2Br)c1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide?
The InChIKey is UABKXFZVCJFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-4-9(6-10(15)5-8)13(18)17-12-2-3-16-7-11(12)14/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide?
N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide has a molecular weight of 309.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 113343049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).