3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide

C13H10Br2N2O2 — CID 23935414

IUPAC3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Br
InChIInChI=1S/C13H10Br2N2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-12-5-3-9(14)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyLUKHAFVCOKGVNJ-UHFFFAOYSA-N
MW386.04 g/mol
LogP3.87
Rot. Bonds3

About 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide

3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide (PubChem CID 23935414) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
PubChem CID23935414
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Br
InChIInChI=1S/C13H10Br2N2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-12-5-3-9(14)7-16-12/h2-7H,1H3,(H,16,17,18)
InChIKeyLUKHAFVCOKGVNJ-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
CID 115274006
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide (CID 23935414) is 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)cn2)cc1Br.
What is the InChIKey of 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide?
The InChIKey is LUKHAFVCOKGVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-12-5-3-9(14)7-16-12/h2-7H,1H3,(H,16,17,18).
What are the key properties of 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide?
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide has a molecular weight of 386.04 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 23935414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).