2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide

C16H18ClN3O4 — CID 122304290

IUPAC2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
SMILESCCOc1ncc(NC(=O)COc2ccc(Cl)cc2)c(OCC)n1
InChIInChI=1S/C16H18ClN3O4/c1-3-22-15-13(9-18-16(20-15)23-4-2)19-14(21)10-24-12-7-5-11(17)6-8-12/h5-9H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyUWRVGLIXRKDVIC-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.94
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide (PubChem CID 122304290) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
PubChem CID122304290
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
SMILESCCOc1ncc(NC(=O)COc2ccc(Cl)cc2)c(OCC)n1
InChIInChI=1S/C16H18ClN3O4/c1-3-22-15-13(9-18-16(20-15)23-4-2)19-14(21)10-24-12-7-5-11(17)6-8-12/h5-9H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyUWRVGLIXRKDVIC-UHFFFAOYSA-N
XLogP2.94
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
CID 122304288
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide (CID 122304290) is 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide is CCOc1ncc(NC(=O)COc2ccc(Cl)cc2)c(OCC)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide?
The InChIKey is UWRVGLIXRKDVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-3-22-15-13(9-18-16(20-15)23-4-2)19-14(21)10-24-12-7-5-11(17)6-8-12/h5-9H,3-4,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide has a molecular weight of 351.79 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide is sourced from PubChem (CID 122304290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).