N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide

C15H15BrN2O — CID 2811521

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ncc(C)cc2Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-3-11-4-6-12(7-5-11)15(19)18-14-13(16)8-10(2)9-17-14/h4-9H,3H2,1-2H3,(H,17,18,19)
InChIKeyGFHFJLGMJXWYLP-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.97
Rot. Bonds3

About N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide

N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide (PubChem CID 2811521) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide
PubChem CID2811521
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ncc(C)cc2Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-3-11-4-6-12(7-5-11)15(19)18-14-13(16)8-10(2)9-17-14/h4-9H,3H2,1-2H3,(H,17,18,19)
InChIKeyGFHFJLGMJXWYLP-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide (CID 2811521) is N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ncc(C)cc2Br)cc1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide?
The InChIKey is GFHFJLGMJXWYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-11-4-6-12(7-5-11)15(19)18-14-13(16)8-10(2)9-17-14/h4-9H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide?
N-(3-bromo-5-methyl-2-pyridinyl)-4-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-(3-bromo-5-methyl-2-pyridinyl)-4-ethylbenzamide is sourced from PubChem (CID 2811521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).