3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one

C14H19ClN2O2 — CID 79349477

IUPAC3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one
SMILESCC(C)CCCOc1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C14H19ClN2O2/c1-8(2)4-3-5-19-12-7-11-9(6-10(12)15)13(16)14(18)17-11/h6-8,13H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyQIDXHAAQCIBUHV-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one (PubChem CID 79349477) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one
PubChem CID79349477
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one
SMILESCC(C)CCCOc1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C14H19ClN2O2/c1-8(2)4-3-5-19-12-7-11-9(6-10(12)15)13(16)14(18)17-11/h6-8,13H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyQIDXHAAQCIBUHV-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one (CID 79349477) is 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one is CC(C)CCCOc1cc2c(cc1Cl)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one?
The InChIKey is QIDXHAAQCIBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-8(2)4-3-5-19-12-7-11-9(6-10(12)15)13(16)14(18)17-11/h6-8,13H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(4-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-(4-methylpentoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).