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

C13H10Br2N2O2 — CID 103819401

IUPAC4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C13H10Br2N2O2/c1-19-11-7-8(14)4-5-9(11)13(18)17-10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyNVEVNAIZIKHZFZ-UHFFFAOYSA-N
MW386.04 g/mol
LogP3.87
Rot. Bonds3

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

4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide (PubChem CID 103819401) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
PubChem CID103819401
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C13H10Br2N2O2/c1-19-11-7-8(14)4-5-9(11)13(18)17-10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyNVEVNAIZIKHZFZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
CID 78987938
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
4-bromo-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 78988670
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide (CID 103819401) is 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1cccnc1Br.
What is the InChIKey of 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide?
The InChIKey is NVEVNAIZIKHZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c1-19-11-7-8(14)4-5-9(11)13(18)17-10-3-2-6-16-12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide?
4-bromo-N-(2-bromo-3-pyridinyl)-2-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 4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide is sourced from PubChem (CID 103819401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).