2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C14H13Cl2N3O2 — CID 3849156

IUPAC2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-8-3-9(2)18-14(17-8)19-13(20)7-21-12-5-10(15)4-11(16)6-12/h3-6H,7H2,1-2H3,(H,17,18,19,20)
InChIKeyMKJOMEZXPDAOMD-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.42
Rot. Bonds4

About 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 3849156) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID3849156
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-8-3-9(2)18-14(17-8)19-13(20)7-21-12-5-10(15)4-11(16)6-12/h3-6H,7H2,1-2H3,(H,17,18,19,20)
InChIKeyMKJOMEZXPDAOMD-UHFFFAOYSA-N
XLogP3.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 3849156) is 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)COc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is MKJOMEZXPDAOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-8-3-9(2)18-14(17-8)19-13(20)7-21-12-5-10(15)4-11(16)6-12/h3-6H,7H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 326.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 3849156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).