N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide

C14H11BrF2N2O — CID 82814313

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1cc(NC(=O)c2c(F)ccc(C)c2F)ncc1Br
InChIInChI=1S/C14H11BrF2N2O/c1-7-3-4-10(16)12(13(7)17)14(20)19-11-5-8(2)9(15)6-18-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyCMKMPKMLMAPIHT-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.99
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide

N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82814313) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
PubChem CID82814313
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1cc(NC(=O)c2c(F)ccc(C)c2F)ncc1Br
InChIInChI=1S/C14H11BrF2N2O/c1-7-3-4-10(16)12(13(7)17)14(20)19-11-5-8(2)9(15)6-18-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyCMKMPKMLMAPIHT-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82815247
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide (CID 82814313) is N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide is Cc1cc(NC(=O)c2c(F)ccc(C)c2F)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is CMKMPKMLMAPIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-3-4-10(16)12(13(7)17)14(20)19-11-5-8(2)9(15)6-18-11/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 341.16 g/mol, XLogP of 3.99, 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)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82814313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).