2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide

C20H18ClN3O2 — CID 90111581

IUPAC2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide
SMILESCCc1cc(Oc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN3O2/c1-2-16-12-19(24-20(23-16)14-4-3-5-15(21)11-14)26-17-8-6-13(7-9-17)10-18(22)25/h3-9,11-12H,2,10H2,1H3,(H2,22,25)
InChIKeyTUODJUIJHBHOTI-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.18
Rot. Bonds6

About 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide

2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 90111581) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide
PubChem CID90111581
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide
SMILESCCc1cc(Oc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN3O2/c1-2-16-12-19(24-20(23-16)14-4-3-5-15(21)11-14)26-17-8-6-13(7-9-17)10-18(22)25/h3-9,11-12H,2,10H2,1H3,(H2,22,25)
InChIKeyTUODJUIJHBHOTI-UHFFFAOYSA-N
XLogP4.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide (CID 90111581) is 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide is CCc1cc(Oc2ccc(CC(N)=O)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide?
The InChIKey is TUODJUIJHBHOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-2-16-12-19(24-20(23-16)14-4-3-5-15(21)11-14)26-17-8-6-13(7-9-17)10-18(22)25/h3-9,11-12H,2,10H2,1H3,(H2,22,25).
What are the key properties of 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide?
2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 367.84 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 90111581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).