N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide

C14H12BrFN2O — CID 79733912

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1F
InChIInChI=1S/C14H12BrFN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyGSIBVRZJSOSGPL-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.85
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide

N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide (PubChem CID 79733912) 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)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
PubChem CID79733912
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1F
InChIInChI=1S/C14H12BrFN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,1-2H3,(H,17,18,19)
InChIKeyGSIBVRZJSOSGPL-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

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 79736322

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide (CID 79733912) is N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(C)c(Br)cn2)ccc1F.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide?
The InChIKey is GSIBVRZJSOSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-6-13(17-7-11(8)15)18-14(19)10-3-4-12(16)9(2)5-10/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-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)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 79733912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).