5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one

C17H18Cl2N2O2 — CID 164562299

IUPAC5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one
SMILESCc1cc(Oc2c(Cl)cc(N)cc2Cl)cn(C2CCCC2)c1=O
InChIInChI=1S/C17H18Cl2N2O2/c1-10-6-13(9-21(17(10)22)12-4-2-3-5-12)23-16-14(18)7-11(20)8-15(16)19/h6-9,12H,2-5,20H2,1H3
InChIKeyGGKGGAYECOGDJG-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.95
Rot. Bonds3

About 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one

5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one (PubChem CID 164562299) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one
PubChem CID164562299
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one
SMILESCc1cc(Oc2c(Cl)cc(N)cc2Cl)cn(C2CCCC2)c1=O
InChIInChI=1S/C17H18Cl2N2O2/c1-10-6-13(9-21(17(10)22)12-4-2-3-5-12)23-16-14(18)7-11(20)8-15(16)19/h6-9,12H,2-5,20H2,1H3
InChIKeyGGKGGAYECOGDJG-UHFFFAOYSA-N
XLogP4.95
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-5-(2,6-dichloro-4-hydrazinylphenoxy)-3-methylpyridin-2-one
CID 175762742
5-(4-amino-2,6-dichlorophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
CID 164765728
4-(4-bromo-3,5-dimethylphenoxy)-3,5-dichloroaniline
CID 107722625
3,5-diamino-1-cyclohexylpyridin-2-one
CID 105460853
3,5-dichloro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 106891061
5-bromo-1-cyclopropyl-3-methylpyridin-2-one
CID 118022249
5-amino-3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 105460854
2-cyclohexyl-4-methylisoquinolin-1-one
CID 13298672
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one
CID 166510697
3,5-dichloro-4-(5-chloro-2-methylphenoxy)aniline
CID 106891037
3,5-dichloro-4-(2-cyclopropylpyrimidin-5-yl)oxyaniline
CID 13367550

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one (CID 164562299) is 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one is Cc1cc(Oc2c(Cl)cc(N)cc2Cl)cn(C2CCCC2)c1=O.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one?
The InChIKey is GGKGGAYECOGDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-10-6-13(9-21(17(10)22)12-4-2-3-5-12)23-16-14(18)7-11(20)8-15(16)19/h6-9,12H,2-5,20H2,1H3.
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one?
5-(4-amino-2,6-dichlorophenoxy)-1-cyclopentyl-3-methylpyridin-2-one has a molecular weight of 353.25 g/mol, XLogP of 4.95, 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-cyclopentyl-3-methylpyridin-2-one is sourced from PubChem (CID 164562299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).