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

C13H10Br2N2O — CID 103819269

IUPAC3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Br)cc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-5-9(7-10(8)14)13(18)17-11-3-2-6-16-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyDTBOEDLEELRRCE-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.17
Rot. Bonds2

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

3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide (PubChem CID 103819269) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
PubChem CID103819269
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccnc2Br)cc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-5-9(7-10(8)14)13(18)17-11-3-2-6-16-12(11)15/h2-7H,1H3,(H,17,18)
InChIKeyDTBOEDLEELRRCE-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
CID 79467189
N-(2-bromo-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 103819140
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3-amino-N-(2-bromo-3-pyridinyl)-5-methylbenzamide
CID 114051406
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide (CID 103819269) is 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccnc2Br)cc1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide?
The InChIKey is DTBOEDLEELRRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c1-8-4-5-9(7-10(8)14)13(18)17-11-3-2-6-16-12(11)15/h2-7H,1H3,(H,17,18).
What are the key properties of 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide?
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide has a molecular weight of 370.04 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 103819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).