2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide

C13H12ClN3O3 — CID 91968336

IUPAC2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H12ClN3O3/c1-19-13-15-6-10(7-16-13)17-12(18)8-20-11-4-2-9(14)3-5-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyUOAZSLDRWOPITL-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.16
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide (PubChem CID 91968336) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
PubChem CID91968336
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
SMILESCOc1ncc(NC(=O)COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H12ClN3O3/c1-19-13-15-6-10(7-16-13)17-12(18)8-20-11-4-2-9(14)3-5-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyUOAZSLDRWOPITL-UHFFFAOYSA-N
XLogP2.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122302986
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112722
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
CID 113033388
2-(4-chlorophenoxy)-N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]acetamide
CID 113019773
N-(2-tert-butyl-4-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 110442677
2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
CID 121112604
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide (CID 91968336) is 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide is COc1ncc(NC(=O)COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide?
The InChIKey is UOAZSLDRWOPITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-19-13-15-6-10(7-16-13)17-12(18)8-20-11-4-2-9(14)3-5-11/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide has a molecular weight of 293.71 g/mol, XLogP of 2.16, 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-methoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 91968336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).