N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide

C13H11BrN2O2 — CID 84558594

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H11BrN2O2/c1-8-4-2-3-5-10(8)12(17)16-11-6-9(14)7-15-13(11)18/h2-7H,1H3,(H,15,18)(H,16,17)
InChIKeyJBTKSTSJUXVDTQ-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.70
Rot. Bonds2

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide (PubChem CID 84558594) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
PubChem CID84558594
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H11BrN2O2/c1-8-4-2-3-5-10(8)12(17)16-11-6-9(14)7-15-13(11)18/h2-7H,1H3,(H,15,18)(H,16,17)
InChIKeyJBTKSTSJUXVDTQ-UHFFFAOYSA-N
XLogP2.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 84559810
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
CID 1233587
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
CID 804702
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide
CID 84558483
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride
CID 119862492

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide (CID 84558594) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide?
The InChIKey is JBTKSTSJUXVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-4-2-3-5-10(8)12(17)16-11-6-9(14)7-15-13(11)18/h2-7H,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide has a molecular weight of 307.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide is sourced from PubChem (CID 84558594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).