4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide

C13H9Br2ClN2O — CID 81294858

IUPAC4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Br)c(Cl)c2)ncc1Br
InChIInChI=1S/C13H9Br2ClN2O/c1-7-4-12(17-6-10(7)15)18-13(19)8-2-3-9(14)11(16)5-8/h2-6H,1H3,(H,17,18,19)
InChIKeyNHNBFMFLXCPGTO-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.82
Rot. Bonds2

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

4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide (PubChem CID 81294858) has the molecular formula C13H9Br2ClN2O and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
PubChem CID81294858
Molecular FormulaC13H9Br2ClN2O
Molecular Weight404.49 g/mol
Exact Mass401.88
IUPAC Name4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccc(Br)c(Cl)c2)ncc1Br
InChIInChI=1S/C13H9Br2ClN2O/c1-7-4-12(17-6-10(7)15)18-13(19)8-2-3-9(14)11(16)5-8/h2-6H,1H3,(H,17,18,19)
InChIKeyNHNBFMFLXCPGTO-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide?
The IUPAC name of 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide (CID 81294858) is 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide is Cc1cc(NC(=O)c2ccc(Br)c(Cl)c2)ncc1Br.
What is the InChIKey of 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide?
The InChIKey is NHNBFMFLXCPGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O/c1-7-4-12(17-6-10(7)15)18-13(19)8-2-3-9(14)11(16)5-8/h2-6H,1H3,(H,17,18,19).
What are the key properties of 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide?
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide has a molecular weight of 404.49 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide is sourced from PubChem (CID 81294858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).