3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride

C15H14Cl2N2O2 — CID 122157091

IUPAC3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride
SMILESCc1ccccc1Oc1cc2c(cc1Cl)C(N)C(=O)N2.Cl
InChIInChI=1S/C15H13ClN2O2.ClH/c1-8-4-2-3-5-12(8)20-13-7-11-9(6-10(13)16)14(17)15(19)18-11;/h2-7,14H,17H2,1H3,(H,18,19);1H
InChIKeyHDXHBFVYGYARJE-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.81
Rot. Bonds2

About 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride

3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 122157091) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride
PubChem CID122157091
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride
SMILESCc1ccccc1Oc1cc2c(cc1Cl)C(N)C(=O)N2.Cl
InChIInChI=1S/C15H13ClN2O2.ClH/c1-8-4-2-3-5-12(8)20-13-7-11-9(6-10(13)16)14(17)15(19)18-11;/h2-7,14H,17H2,1H3,(H,18,19);1H
InChIKeyHDXHBFVYGYARJE-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-chloro-6-(2,5-dichlorophenoxy)-1,3-dihydroindol-2-one
CID 79344344
3-amino-6-(2-methylphenoxy)-1,3-dihydroindol-2-one
CID 63369724
3-amino-5-chloro-6-[(6-methyl-3-pyridinyl)oxy]-1,3-dihydroindol-2-one
CID 79349655
3-amino-6-(4-bromo-2-fluorophenoxy)-5-chloro-1,3-dihydroindol-2-one
CID 79344513
3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
CID 102982290
5-chloro-6-(2-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344351
3-amino-6-(2-chlorophenoxy)-1,3-dihydroindol-2-one
CID 63369740
3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 79348948
3-amino-5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
CID 116801775
5-chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
3-amino-5-chloro-6-(cyclopropylmethoxy)-1,3-dihydroindol-2-one
CID 79349829
3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one
CID 79349477

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride (CID 122157091) is 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride is Cc1ccccc1Oc1cc2c(cc1Cl)C(N)C(=O)N2.Cl.
What is the InChIKey of 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is HDXHBFVYGYARJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2.ClH/c1-8-4-2-3-5-12(8)20-13-7-11-9(6-10(13)16)14(17)15(19)18-11;/h2-7,14H,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride?
3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 325.20 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(2-methylphenoxy)-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 122157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).