2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane

C14H15BrClN3O2 — CID 145025563

IUPAC2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1ccccc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C12H9BrClN3O2.C2H6/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11;1-2/h2-6H,1H3,(H,15,18);1-2H3
InChIKeyWUDHHVKIIRZSIX-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.07
Rot. Bonds3

About 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane (PubChem CID 145025563) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane.

Molecular Properties

Compound Name2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
PubChem CID145025563
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1ccccc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C12H9BrClN3O2.C2H6/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11;1-2/h2-6H,1H3,(H,15,18);1-2H3
InChIKeyWUDHHVKIIRZSIX-UHFFFAOYSA-N
XLogP4.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane?
The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane (CID 145025563) is 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane.
What is the SMILES notation for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane?
The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane is CC.CNC(=O)c1ccccc1Oc1nc(Cl)ncc1Br.
What is the InChIKey of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane?
The InChIKey is WUDHHVKIIRZSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2.C2H6/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11;1-2/h2-6H,1H3,(H,15,18);1-2H3.
What are the key properties of 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane?
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane has a molecular weight of 372.65 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane is sourced from PubChem (CID 145025563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).