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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Related Compounds

2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methylbenzamide;2,4,5-trichloropyrimidine
CID 157058286
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
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
3-bromo-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86634074
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-3-methoxy-N-methylbenzamide;2-[5-bromo-2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]oxy-3-methoxy-N-methylbenzamide;dichlorozinc;N,N-diethylethanamine;3,4-dimethoxy-5-methylaniline
CID 160577357
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
2-[(3,4-dichlorophenyl)methoxy]-N-methylbenzamide
CID 13073632

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).