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

C13H10Br2N2O — CID 112548050

IUPAC4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccncc2Br)ccc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-6-9(2-3-10(8)14)13(18)17-12-4-5-16-7-11(12)15/h2-7H,1H3,(H,16,17,18)
InChIKeyCICVTCPYNGMXPH-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.17
Rot. Bonds2

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

4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide (PubChem CID 112548050) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
PubChem CID112548050
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccncc2Br)ccc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-6-9(2-3-10(8)14)13(18)17-12-4-5-16-7-11(12)15/h2-7H,1H3,(H,16,17,18)
InChIKeyCICVTCPYNGMXPH-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

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Related Compounds

N-(3-bromo-4-pyridinyl)-3-fluoro-5-methylbenzamide
CID 113343049
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
N-(3-bromo-4-pyridinyl)-3-methyl-5-nitrobenzamide
CID 115869327
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(3-bromo-4-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103874392
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
4-bromo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 113338779
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103857166
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide (CID 112548050) is 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2ccncc2Br)ccc1Br.
What is the InChIKey of 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide?
The InChIKey is CICVTCPYNGMXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c1-8-6-9(2-3-10(8)14)13(18)17-12-4-5-16-7-11(12)15/h2-7H,1H3,(H,16,17,18).
What are the key properties of 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide?
4-bromo-N-(3-bromo-4-pyridinyl)-3-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 4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide is sourced from PubChem (CID 112548050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).