6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one

C15H17Cl2NO — CID 61084046

IUPAC6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)C3CCCCC3)c(Cl)cc2N1
InChIInChI=1S/C15H17Cl2NO/c16-12-8-13-10(7-14(19)18-13)6-11(12)15(17)9-4-2-1-3-5-9/h6,8-9,15H,1-5,7H2,(H,18,19)
InChIKeyJHHWVVWEJVDDRV-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.69
Rot. Bonds2

About 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 61084046) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
PubChem CID61084046
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Cl)C3CCCCC3)c(Cl)cc2N1
InChIInChI=1S/C15H17Cl2NO/c16-12-8-13-10(7-14(19)18-13)6-11(12)15(17)9-4-2-1-3-5-9/h6,8-9,15H,1-5,7H2,(H,18,19)
InChIKeyJHHWVVWEJVDDRV-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.69
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-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43457516
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
5-[bromo(oxan-3-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63015097
6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
5-[bromo(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096789
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
6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63012879

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one (CID 61084046) is 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Cl)C3CCCCC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is JHHWVVWEJVDDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c16-12-8-13-10(7-14(19)18-13)6-11(12)15(17)9-4-2-1-3-5-9/h6,8-9,15H,1-5,7H2,(H,18,19).
What are the key properties of 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 298.21 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61084046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).