6-chloro-3-decanoylindol-2-one

C18H22ClNO2 — CID 118321544

IUPAC6-chloro-3-decanoylindol-2-one
SMILESCCCCCCCCCC(=O)C1=c2ccc(Cl)cc2=NC1=O
InChIInChI=1S/C18H22ClNO2/c1-2-3-4-5-6-7-8-9-16(21)17-14-11-10-13(19)12-15(14)20-18(17)22/h10-12H,2-9H2,1H3
InChIKeyBXJPYCDPDJJSDA-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.36
Rot. Bonds9

About 6-chloro-3-decanoylindol-2-one

6-chloro-3-decanoylindol-2-one (PubChem CID 118321544) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 6-chloro-3-decanoylindol-2-one.

Molecular Properties

Compound Name6-chloro-3-decanoylindol-2-one
PubChem CID118321544
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name6-chloro-3-decanoylindol-2-one
SMILESCCCCCCCCCC(=O)C1=c2ccc(Cl)cc2=NC1=O
InChIInChI=1S/C18H22ClNO2/c1-2-3-4-5-6-7-8-9-16(21)17-14-11-10-13(19)12-15(14)20-18(17)22/h10-12H,2-9H2,1H3
InChIKeyBXJPYCDPDJJSDA-UHFFFAOYSA-N
XLogP3.36
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-3-decanoylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-decanoylindol-2-one?
The IUPAC name of 6-chloro-3-decanoylindol-2-one (CID 118321544) is 6-chloro-3-decanoylindol-2-one.
What is the SMILES notation for 6-chloro-3-decanoylindol-2-one?
The canonical SMILES for 6-chloro-3-decanoylindol-2-one is CCCCCCCCCC(=O)C1=c2ccc(Cl)cc2=NC1=O.
What is the InChIKey of 6-chloro-3-decanoylindol-2-one?
The InChIKey is BXJPYCDPDJJSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-2-3-4-5-6-7-8-9-16(21)17-14-11-10-13(19)12-15(14)20-18(17)22/h10-12H,2-9H2,1H3.
What are the key properties of 6-chloro-3-decanoylindol-2-one?
6-chloro-3-decanoylindol-2-one has a molecular weight of 319.83 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-decanoylindol-2-one is sourced from PubChem (CID 118321544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).