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

C17H23Cl2NO — CID 63434327

IUPAC6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
SMILESCC(CC(Cl)c1cc2c(cc1Cl)NC(=O)C2)CC(C)(C)C
InChIInChI=1S/C17H23Cl2NO/c1-10(9-17(2,3)4)5-13(18)12-6-11-7-16(21)20-15(11)8-14(12)19/h6,8,10,13H,5,7,9H2,1-4H3,(H,20,21)
InChIKeyXRWZZXHTBKOSIT-UHFFFAOYSA-N
MW328.28 g/mol
LogP5.58
Rot. Bonds4

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

6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one (PubChem CID 63434327) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
PubChem CID63434327
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
SMILESCC(CC(Cl)c1cc2c(cc1Cl)NC(=O)C2)CC(C)(C)C
InChIInChI=1S/C17H23Cl2NO/c1-10(9-17(2,3)4)5-13(18)12-6-11-7-16(21)20-15(11)8-14(12)19/h6,8,10,13H,5,7,9H2,1-4H3,(H,20,21)
InChIKeyXRWZZXHTBKOSIT-UHFFFAOYSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.58
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-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
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-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079
6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103165684
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-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one (CID 63434327) is 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one is CC(CC(Cl)c1cc2c(cc1Cl)NC(=O)C2)CC(C)(C)C.
What is the InChIKey of 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
The InChIKey is XRWZZXHTBKOSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-10(9-17(2,3)4)5-13(18)12-6-11-7-16(21)20-15(11)8-14(12)19/h6,8,10,13H,5,7,9H2,1-4H3,(H,20,21).
What are the key properties of 6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one?
6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one has a molecular weight of 328.28 g/mol, XLogP of 5.58, 4 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-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63434327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).