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

C13H15Cl2NO — CID 61083849

IUPAC6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCC(C)CC(Cl)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H15Cl2NO/c1-7(2)3-10(14)9-4-8-5-13(17)16-12(8)6-11(9)15/h4,6-7,10H,3,5H2,1-2H3,(H,16,17)
InChIKeyZUKJGRRQBYCSKQ-UHFFFAOYSA-N
MW272.18 g/mol
LogP4.16
Rot. Bonds3

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

6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one (PubChem CID 61083849) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
PubChem CID61083849
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCC(C)CC(Cl)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H15Cl2NO/c1-7(2)3-10(14)9-4-8-5-13(17)16-12(8)6-11(9)15/h4,6-7,10H,3,5H2,1-2H3,(H,16,17)
InChIKeyZUKJGRRQBYCSKQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 63434327
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103165684
6-chloro-5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydroindol-2-one
CID 61084652
6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
CID 104521145
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide
CID 43704875
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
6-chloro-5-[chloro-(2,3-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 63434625
5-(1-bromononyl)-6-chloro-1,3-dihydroindol-2-one
CID 65428912

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one (CID 61083849) is 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one is CC(C)CC(Cl)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one?
The InChIKey is ZUKJGRRQBYCSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-7(2)3-10(14)9-4-8-5-13(17)16-12(8)6-11(9)15/h4,6-7,10H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one?
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one has a molecular weight of 272.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61083849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).