N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide

C15H15BrN2O2 — CID 115274010

IUPACN-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
SMILESCOc1cc(C)cc(C)c1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2O2/c1-9-6-10(2)14(12(7-9)20-3)15(19)18-13-5-4-11(16)8-17-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyZJVFSJPZSDGRJI-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.72
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide

N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide (PubChem CID 115274010) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
PubChem CID115274010
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
SMILESCOc1cc(C)cc(C)c1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H15BrN2O2/c1-9-6-10(2)14(12(7-9)20-3)15(19)18-13-5-4-11(16)8-17-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyZJVFSJPZSDGRJI-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
CID 115274006
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
CID 28893236
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
N-(5-bromo-2-pyridinyl)-3-(2,4-dimethylphenoxy)propanamide
CID 55756614
N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide
CID 142083421
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
N-(4-acetylphenyl)-2-methoxy-4,6-dimethylbenzamide
CID 110764978

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide (CID 115274010) is N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide is COc1cc(C)cc(C)c1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide?
The InChIKey is ZJVFSJPZSDGRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-6-10(2)14(12(7-9)20-3)15(19)18-13-5-4-11(16)8-17-13/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide?
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide is sourced from PubChem (CID 115274010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).