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

C16H18ClNO2 — CID 43457418

IUPAC6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CC3CCCCC3)c(Cl)cc2N1
InChIInChI=1S/C16H18ClNO2/c17-13-9-14-11(8-16(20)18-14)7-12(13)15(19)6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,18,20)
InChIKeySURWIZLLZVSBLO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.99
Rot. Bonds3

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

6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one (PubChem CID 43457418) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one
PubChem CID43457418
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CC3CCCCC3)c(Cl)cc2N1
InChIInChI=1S/C16H18ClNO2/c17-13-9-14-11(8-16(20)18-14)7-12(13)15(19)6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,18,20)
InChIKeySURWIZLLZVSBLO-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one (CID 43457418) is 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)CC3CCCCC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one?
The InChIKey is SURWIZLLZVSBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-13-9-14-11(8-16(20)18-14)7-12(13)15(19)6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,18,20).
What are the key properties of 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one?
6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one has a molecular weight of 291.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-cyclohexylacetyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).