3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide

C15H16BrN3O3 — CID 122304593

IUPAC3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
SMILESCCOc1ncc(NC(=O)c2cccc(Br)c2)c(OCC)n1
InChIInChI=1S/C15H16BrN3O3/c1-3-21-14-12(9-17-15(19-14)22-4-2)18-13(20)10-6-5-7-11(16)8-10/h5-9H,3-4H2,1-2H3,(H,18,20)
InChIKeyINYLDISBBDRFEB-UHFFFAOYSA-N
MW366.22 g/mol
LogP3.29
Rot. Bonds6

About 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide

3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide (PubChem CID 122304593) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
PubChem CID122304593
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
SMILESCCOc1ncc(NC(=O)c2cccc(Br)c2)c(OCC)n1
InChIInChI=1S/C15H16BrN3O3/c1-3-21-14-12(9-17-15(19-14)22-4-2)18-13(20)10-6-5-7-11(16)8-10/h5-9H,3-4H2,1-2H3,(H,18,20)
InChIKeyINYLDISBBDRFEB-UHFFFAOYSA-N
XLogP3.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
CID 122304259
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-(2,4-diethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304384
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
CID 122304432
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea
CID 122304334

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide?
The IUPAC name of 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide (CID 122304593) is 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide is CCOc1ncc(NC(=O)c2cccc(Br)c2)c(OCC)n1.
What is the InChIKey of 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide?
The InChIKey is INYLDISBBDRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-3-21-14-12(9-17-15(19-14)22-4-2)18-13(20)10-6-5-7-11(16)8-10/h5-9H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide?
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide has a molecular weight of 366.22 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 122304593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).