2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide

C13H10Br2N2O — CID 114372326

IUPAC2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-5-16-7-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-7H,1H3,(H,17,18)
InChIKeyUPOSXDORZFEMKI-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.17
Rot. Bonds2

About 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide

2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide (PubChem CID 114372326) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
PubChem CID114372326
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H10Br2N2O/c1-8-4-5-16-7-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-7H,1H3,(H,17,18)
InChIKeyUPOSXDORZFEMKI-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

5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
CID 103924957
5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
CID 65311874
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242957

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide (CID 114372326) is 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is UPOSXDORZFEMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c1-8-4-5-16-7-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide?
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide 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 2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 114372326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).