2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide

C15H16ClN3O3 — CID 91969137

IUPAC2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
SMILESCOc1nc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C15H16ClN3O3/c1-9-14(10(2)18-15(17-9)21-3)19-13(20)8-22-12-6-4-11(16)5-7-12/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyLBKJEABMLMHHIG-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide (PubChem CID 91969137) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
PubChem CID91969137
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
SMILESCOc1nc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)n1
InChIInChI=1S/C15H16ClN3O3/c1-9-14(10(2)18-15(17-9)21-3)19-13(20)8-22-12-6-4-11(16)5-7-12/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyLBKJEABMLMHHIG-UHFFFAOYSA-N
XLogP2.77
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748765
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122357170
1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302645
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
CID 122252894
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide (CID 91969137) is 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide is COc1nc(C)c(NC(=O)COc2ccc(Cl)cc2)c(C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
The InChIKey is LBKJEABMLMHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9-14(10(2)18-15(17-9)21-3)19-13(20)8-22-12-6-4-11(16)5-7-12/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide has a molecular weight of 321.76 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 91969137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).