2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide

C13H12ClN3O2 — CID 1094212

IUPAC2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClN3O2/c1-9-6-7-15-13(16-9)17-12(18)8-19-11-4-2-10(14)3-5-11/h2-7H,8H2,1H3,(H,15,16,17,18)
InChIKeyMWPRLIYTBOOVJR-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide

2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide (PubChem CID 1094212) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide
PubChem CID1094212
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide
SMILESCc1ccnc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClN3O2/c1-9-6-7-15-13(16-9)17-12(18)8-19-11-4-2-10(14)3-5-11/h2-7H,8H2,1H3,(H,15,16,17,18)
InChIKeyMWPRLIYTBOOVJR-UHFFFAOYSA-N
XLogP2.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide (CID 1094212) is 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide is Cc1ccnc(NC(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide?
The InChIKey is MWPRLIYTBOOVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-9-6-7-15-13(16-9)17-12(18)8-19-11-4-2-10(14)3-5-11/h2-7H,8H2,1H3,(H,15,16,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide has a molecular weight of 277.71 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 1094212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).