N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide

C15H15BrN2O — CID 103909504

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccc(Br)nc1C
InChIInChI=1S/C15H15BrN2O/c1-3-11-6-4-5-7-12(11)15(19)18-13-8-9-14(16)17-10(13)2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyPXBXAQCMEQVAJY-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.97
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide (PubChem CID 103909504) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
PubChem CID103909504
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccc(Br)nc1C
InChIInChI=1S/C15H15BrN2O/c1-3-11-6-4-5-7-12(11)15(19)18-13-8-9-14(16)17-10(13)2/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyPXBXAQCMEQVAJY-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 114050876
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide (CID 103909504) is N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide is CCc1ccccc1C(=O)Nc1ccc(Br)nc1C.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide?
The InChIKey is PXBXAQCMEQVAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-11-6-4-5-7-12(11)15(19)18-13-8-9-14(16)17-10(13)2/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide is sourced from PubChem (CID 103909504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).