5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one

C16H24BrN3O — CID 79343711

IUPAC5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(CC)CC(C)C)c(Br)cc21
InChIInChI=1S/C16H24BrN3O/c1-5-18-15-11-7-12(17)14(8-13(11)19-16(15)21)20(6-2)9-10(3)4/h7-8,10,15,18H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyCXGXSDRISLIHGQ-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.53
Rot. Bonds6

About 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79343711) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
PubChem CID79343711
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(CC)CC(C)C)c(Br)cc21
InChIInChI=1S/C16H24BrN3O/c1-5-18-15-11-7-12(17)14(8-13(11)19-16(15)21)20(6-2)9-10(3)4/h7-8,10,15,18H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyCXGXSDRISLIHGQ-UHFFFAOYSA-N
XLogP3.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one (CID 79343711) is 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N(CC)CC(C)C)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is CXGXSDRISLIHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-5-18-15-11-7-12(17)14(8-13(11)19-16(15)21)20(6-2)9-10(3)4/h7-8,10,15,18H,5-6,9H2,1-4H3,(H,19,21).
What are the key properties of 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 354.29 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).