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

C16H21BrClNO — CID 63443114

IUPAC5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
SMILESCCCCCCCC(Br)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H21BrClNO/c1-2-3-4-5-6-7-13(17)12-8-11-9-16(20)19-15(11)10-14(12)18/h8,10,13H,2-7,9H2,1H3,(H,19,20)
InChIKeyFAIHUTAHYSFOKS-UHFFFAOYSA-N
MW358.71 g/mol
LogP5.63
Rot. Bonds7

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

5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one (PubChem CID 63443114) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
PubChem CID63443114
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
SMILESCCCCCCCC(Br)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H21BrClNO/c1-2-3-4-5-6-7-13(17)12-8-11-9-16(20)19-15(11)10-14(12)18/h8,10,13H,2-7,9H2,1H3,(H,19,20)
InChIKeyFAIHUTAHYSFOKS-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.71
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-bromononyl)-6-chloro-1,3-dihydroindol-2-one
CID 65428912
5-(1-bromoheptyl)-6-chloro-1,3-dihydroindol-2-one
CID 114753608
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
5-(1-bromodecyl)-1,3-dihydroindol-2-one
CID 65428909
6-chloro-5-[1-(ethylamino)pentyl]-1,3-dihydroindol-2-one
CID 43493705
6-chloro-5-(nonan-2-ylamino)-1,3-dihydroindol-2-one
CID 43691740
5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one
CID 114243983
6-(1-bromooctyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 63442754
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[bromo-(4-bromo-2-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63442972

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one (CID 63443114) is 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one is CCCCCCCC(Br)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is FAIHUTAHYSFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c1-2-3-4-5-6-7-13(17)12-8-11-9-16(20)19-15(11)10-14(12)18/h8,10,13H,2-7,9H2,1H3,(H,19,20).
What are the key properties of 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one?
5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 358.71 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 63443114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).