7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one

C14H11ClN2O2 — CID 68660767

IUPAC7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one
SMILESNc1ccc(Oc2cccc3c2NC(=O)C3)c(Cl)c1
InChIInChI=1S/C14H11ClN2O2/c15-10-7-9(16)4-5-11(10)19-12-3-1-2-8-6-13(18)17-14(8)12/h1-5,7H,6,16H2,(H,17,18)
InChIKeyWAYTVWJSPLEIMS-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.21
Rot. Bonds2

About 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one

7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one (PubChem CID 68660767) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one
PubChem CID68660767
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one
SMILESNc1ccc(Oc2cccc3c2NC(=O)C3)c(Cl)c1
InChIInChI=1S/C14H11ClN2O2/c15-10-7-9(16)4-5-11(10)19-12-3-1-2-8-6-13(18)17-14(8)12/h1-5,7H,6,16H2,(H,17,18)
InChIKeyWAYTVWJSPLEIMS-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Benzyloxy)indolin-2-one
CID 18438746
5-[(3-chlorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one
CID 155517932
5-[(3,4-Dichlorophenyl)methoxy]-1,3-dihydroindol-2-one
CID 155552050
5-(2-Chloro-4-trifluoromethylphenoxy)-3-methylthio-1H-indol-2(3H)-one
CID 10090765
5-(2-Chloro-6-fluoro-4-trifluoromethylphenoxy)-1H-indol-2(3H)-one
CID 10427684
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 11143209
5-[2-Chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydroindol-2-one
CID 19800493
2-Oxo-5-chloro-7-(2-fluorophenoxy)indoline
CID 20446157
5-(2-Amino-3-fluorophenoxy)-1,3-dihydroindol-2-one
CID 58443054
4-(4-Amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one
CID 68660819
5-[(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy]-2-indolinone
CID 86745336
5-[(2-Chloro-alpha,alpha,alpha,6-tetrafluoro-p-tolyl)oxy]-2-indolinone
CID 86745339

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one (CID 68660767) is 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one is Nc1ccc(Oc2cccc3c2NC(=O)C3)c(Cl)c1.
What is the InChIKey of 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one?
The InChIKey is WAYTVWJSPLEIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-10-7-9(16)4-5-11(10)19-12-3-1-2-8-6-13(18)17-14(8)12/h1-5,7H,6,16H2,(H,17,18).
What are the key properties of 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one?
7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one has a molecular weight of 274.71 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2-chlorophenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 68660767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).