6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one

C15H13ClN2O2 — CID 68660881

IUPAC6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(Oc3ccc(N)cc3Cl)cc2C1=O
InChIInChI=1S/C15H13ClN2O2/c1-18-8-9-2-4-11(7-12(9)15(18)19)20-14-5-3-10(17)6-13(14)16/h2-7H,8,17H2,1H3
InChIKeyJFGASHYDQIYMBR-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.30
Rot. Bonds2

About 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one

6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one (PubChem CID 68660881) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one
PubChem CID68660881
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(Oc3ccc(N)cc3Cl)cc2C1=O
InChIInChI=1S/C15H13ClN2O2/c1-18-8-9-2-4-11(7-12(9)15(18)19)20-14-5-3-10(17)6-13(14)16/h2-7H,8,17H2,1H3
InChIKeyJFGASHYDQIYMBR-UHFFFAOYSA-N
XLogP3.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one (CID 68660881) is 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one is CN1Cc2ccc(Oc3ccc(N)cc3Cl)cc2C1=O.
What is the InChIKey of 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one?
The InChIKey is JFGASHYDQIYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-18-8-9-2-4-11(7-12(9)15(18)19)20-14-5-3-10(17)6-13(14)16/h2-7H,8,17H2,1H3.
What are the key properties of 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one?
6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one has a molecular weight of 288.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-chlorophenoxy)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 68660881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).