3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one

C14H19ClN2O2 — CID 103284010

IUPAC3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one
SMILESCCCC(C)COc1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C14H19ClN2O2/c1-3-4-8(2)7-19-12-6-11-9(5-10(12)15)13(16)14(18)17-11/h5-6,8,13H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyCOYHFBMQPKBTKT-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one (PubChem CID 103284010) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one
PubChem CID103284010
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one
SMILESCCCC(C)COc1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C14H19ClN2O2/c1-3-4-8(2)7-19-12-6-11-9(5-10(12)15)13(16)14(18)17-11/h5-6,8,13H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyCOYHFBMQPKBTKT-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one (CID 103284010) is 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one is CCCC(C)COc1cc2c(cc1Cl)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one?
The InChIKey is COYHFBMQPKBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-4-8(2)7-19-12-6-11-9(5-10(12)15)13(16)14(18)17-11/h5-6,8,13H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one has a molecular weight of 282.77 g/mol, XLogP of 3.11, 5 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-methylpentoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 103284010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).