N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide

C15H15BrN2O2 — CID 115274006

IUPACN-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cn2)c(C)c1C
InChIInChI=1S/C15H15BrN2O2/c1-9-10(2)13(20-3)6-5-12(9)15(19)18-14-7-4-11(16)8-17-14/h4-8H,1-3H3,(H,17,18,19)
InChIKeyNDOBEUCTITVHOQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.72
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide

N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide (PubChem CID 115274006) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
PubChem CID115274006
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cn2)c(C)c1C
InChIInChI=1S/C15H15BrN2O2/c1-9-10(2)13(20-3)6-5-12(9)15(19)18-14-7-4-11(16)8-17-14/h4-8H,1-3H3,(H,17,18,19)
InChIKeyNDOBEUCTITVHOQ-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

N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide
CID 142083421
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
CID 3654451
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 60522037
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide (CID 115274006) is N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide is COc1ccc(C(=O)Nc2ccc(Br)cn2)c(C)c1C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide?
The InChIKey is NDOBEUCTITVHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-10(2)13(20-3)6-5-12(9)15(19)18-14-7-4-11(16)8-17-14/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide?
N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-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)-4-methoxy-2,3-dimethylbenzamide is sourced from PubChem (CID 115274006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).