N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide

C14H12BrFN2O — CID 79733422

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-3-4-12(16)10(5-8)14(19)18-13-6-9(2)11(15)7-17-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyCNKHIEFCVDHODD-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.85
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide (PubChem CID 79733422) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
PubChem CID79733422
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-3-4-12(16)10(5-8)14(19)18-13-6-9(2)11(15)7-17-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyCNKHIEFCVDHODD-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

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
N-(5-bromo-4-methyl-2-pyridinyl)-5-chloro-2-hydrazinylbenzamide
CID 79729244
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
CID 79736443
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 62509199
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 115693167

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide (CID 79733422) is N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cc(C)c(Br)cn2)c1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide?
The InChIKey is CNKHIEFCVDHODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-3-4-12(16)10(5-8)14(19)18-13-6-9(2)11(15)7-17-13/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-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-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 79733422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).