5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one

C15H16Cl2N2O2 — CID 164765728

IUPAC5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(N)cc2Cl)cn(C)c1=O
InChIInChI=1S/C15H16Cl2N2O2/c1-8(2)11-6-10(7-19(3)15(11)20)21-14-12(16)4-9(18)5-13(14)17/h4-8H,18H2,1-3H3
InChIKeyVFYWNBILBIGVJH-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.19
Rot. Bonds3

About 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one

5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one (PubChem CID 164765728) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
PubChem CID164765728
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(N)cc2Cl)cn(C)c1=O
InChIInChI=1S/C15H16Cl2N2O2/c1-8(2)11-6-10(7-19(3)15(11)20)21-14-12(16)4-9(18)5-13(14)17/h4-8H,18H2,1-3H3
InChIKeyVFYWNBILBIGVJH-UHFFFAOYSA-N
XLogP4.19
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one (CID 164765728) is 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one is CC(C)c1cc(Oc2c(Cl)cc(N)cc2Cl)cn(C)c1=O.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
The InChIKey is VFYWNBILBIGVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-8(2)11-6-10(7-19(3)15(11)20)21-14-12(16)4-9(18)5-13(14)17/h4-8H,18H2,1-3H3.
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one?
5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one has a molecular weight of 327.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 164765728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).