5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one

C14H14Cl2N2O2 — CID 166510697

IUPAC5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one
SMILESCCCn1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1=O
InChIInChI=1S/C14H14Cl2N2O2/c1-2-5-18-8-10(3-4-13(18)19)20-14-11(15)6-9(17)7-12(14)16/h3-4,6-8H,2,5,17H2,1H3
InChIKeyIXIHZNXTDUWXSU-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.94
Rot. Bonds4

About 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one

5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one (PubChem CID 166510697) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one
PubChem CID166510697
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one
SMILESCCCn1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1=O
InChIInChI=1S/C14H14Cl2N2O2/c1-2-5-18-8-10(3-4-13(18)19)20-14-11(15)6-9(17)7-12(14)16/h3-4,6-8H,2,5,17H2,1H3
InChIKeyIXIHZNXTDUWXSU-UHFFFAOYSA-N
XLogP3.94
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.94
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

N-(4-(2,4-Dichlorophenoxy)phenyl)acetamide
CID 3017018
1-allyl-N-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486111
N-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
N-(4-(2,4,6-Trichlorophenoxy)phenyl)acetamide
CID 150673
2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide
CID 16792879
1-allyl-4-(3-chloro-4-methoxyphenyl)pyrazine-2,3(1H,4H)-dione
CID 7286917
5-(4-Amino-2,6-dichlorophenoxy)-4-chloro-2-ethylpyridazin-3-one
CID 400497
N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide
CID 99838132
5-[2,6-dichloro-4-(1-hydroxyethylamino)phenoxy]-3-(2-fluoropropan-2-yl)-1H-pyridin-2-one
CID 156057660
5-(4-Amino-2,6-dichlorophenoxy)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 156214949
5-(4-Amino-2,6-dichlorophenoxy)-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 156215119
5-(4-Amino-2,6-dichlorophenoxy)-1-[(3,4-difluorophenyl)methyl]pyridin-2-one
CID 156215130

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one (CID 166510697) is 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one is CCCn1cc(Oc2c(Cl)cc(N)cc2Cl)ccc1=O.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one?
The InChIKey is IXIHZNXTDUWXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-2-5-18-8-10(3-4-13(18)19)20-14-11(15)6-9(17)7-12(14)16/h3-4,6-8H,2,5,17H2,1H3.
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one?
5-(4-amino-2,6-dichlorophenoxy)-1-propylpyridin-2-one has a molecular weight of 313.18 g/mol, XLogP of 3.94, 4 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-propylpyridin-2-one is sourced from PubChem (CID 166510697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).