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

C14H17Cl2NO — CID 61083654

IUPAC6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
SMILESCCCCCC(Cl)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H17Cl2NO/c1-2-3-4-5-11(15)10-6-9-7-14(18)17-13(9)8-12(10)16/h6,8,11H,2-5,7H2,1H3,(H,17,18)
InChIKeyGKLIZIGUBVWWQS-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.69
Rot. Bonds5

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

6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one (PubChem CID 61083654) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
PubChem CID61083654
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
SMILESCCCCCC(Cl)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C14H17Cl2NO/c1-2-3-4-5-11(15)10-6-9-7-14(18)17-13(9)8-12(10)16/h6,8,11H,2-5,7H2,1H3,(H,17,18)
InChIKeyGKLIZIGUBVWWQS-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.69
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
5-(1-bromooctyl)-6-chloro-1,3-dihydroindol-2-one
CID 63443114
6-chloro-5-[1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43487561
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
6-chloro-5-[1-(ethylamino)pentyl]-1,3-dihydroindol-2-one
CID 43493705
6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 63434327
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
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103165684
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one (CID 61083654) is 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one is CCCCCC(Cl)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one?
The InChIKey is GKLIZIGUBVWWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-2-3-4-5-11(15)10-6-9-7-14(18)17-13(9)8-12(10)16/h6,8,11H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one?
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one has a molecular weight of 286.20 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61083654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).