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

C14H14ClN3O2 — CID 697465

IUPAC2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-7-10(2)17-14(16-9)18-13(19)8-20-12-5-3-11(15)4-6-12/h3-7H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyXRISSHSHRQQMOF-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.76
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 697465) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID697465
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-7-10(2)17-14(16-9)18-13(19)8-20-12-5-3-11(15)4-6-12/h3-7H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyXRISSHSHRQQMOF-UHFFFAOYSA-N
XLogP2.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.76
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-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 697465) is 2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is XRISSHSHRQQMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-7-10(2)17-14(16-9)18-13(19)8-20-12-5-3-11(15)4-6-12/h3-7H,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 291.74 g/mol, XLogP of 2.76, 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-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 697465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).