2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide

C11H7BrClN3O2 — CID 79076427

IUPAC2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1ccccc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C11H7BrClN3O2/c12-7-5-15-11(13)16-10(7)18-8-4-2-1-3-6(8)9(14)17/h1-5H,(H2,14,17)
InChIKeyREEWTINWOWQELS-UHFFFAOYSA-N
MW328.55 g/mol
LogP2.78
Rot. Bonds3

About 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide

2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide (PubChem CID 79076427) has the molecular formula C11H7BrClN3O2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
PubChem CID79076427
Molecular FormulaC11H7BrClN3O2
Molecular Weight328.55 g/mol
Exact Mass326.94
IUPAC Name2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1ccccc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C11H7BrClN3O2/c12-7-5-15-11(13)16-10(7)18-8-4-2-1-3-6(8)9(14)17/h1-5H,(H2,14,17)
InChIKeyREEWTINWOWQELS-UHFFFAOYSA-N
XLogP2.78
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
CID 145025563
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
2-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 63734333
2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide
CID 61038453
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methoxybenzamide;5-bromo-2,4-dichloropyrimidine;copper;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methoxybenzamide
CID 159166625
5-amino-6-(2-carbamoylphenoxy)pyridine-2-carboxamide
CID 114408553
2-(5-iodopyrimidin-2-yl)oxybenzamide
CID 116649139
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
CID 79076865
5-bromo-4-chloro-2-methylpyrimidine;[2-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]-pyrrolidin-1-ylmethanone;N-ethyl-N-propan-2-ylpropan-2-amine;(2-hydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 159399451
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide?
The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide (CID 79076427) is 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide is NC(=O)c1ccccc1Oc1nc(Cl)ncc1Br.
What is the InChIKey of 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide?
The InChIKey is REEWTINWOWQELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O2/c12-7-5-15-11(13)16-10(7)18-8-4-2-1-3-6(8)9(14)17/h1-5H,(H2,14,17).
What are the key properties of 2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide?
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide has a molecular weight of 328.55 g/mol, XLogP of 2.78, 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)oxybenzamide is sourced from PubChem (CID 79076427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).