5-chloro-3-phenylindol-2-one

C14H8ClNO — CID 70511404

IUPAC5-chloro-3-phenylindol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C1c1ccccc1
InChIInChI=1S/C14H8ClNO/c15-10-6-7-12-11(8-10)13(14(17)16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyXEPJAKGRKNLADU-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.70
Rot. Bonds1

About 5-chloro-3-phenylindol-2-one

5-chloro-3-phenylindol-2-one (PubChem CID 70511404) has the molecular formula C14H8ClNO and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-3-phenylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-phenylindol-2-one
PubChem CID70511404
Molecular FormulaC14H8ClNO
Molecular Weight241.68 g/mol
Exact Mass241.03
IUPAC Name5-chloro-3-phenylindol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C1c1ccccc1
InChIInChI=1S/C14H8ClNO/c15-10-6-7-12-11(8-10)13(14(17)16-12)9-4-2-1-3-5-9/h1-8H
InChIKeyXEPJAKGRKNLADU-UHFFFAOYSA-N
XLogP1.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-phenylindol-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 5-chloro-3-phenylindol-2-one?
The IUPAC name of 5-chloro-3-phenylindol-2-one (CID 70511404) is 5-chloro-3-phenylindol-2-one.
What is the SMILES notation for 5-chloro-3-phenylindol-2-one?
The canonical SMILES for 5-chloro-3-phenylindol-2-one is O=C1N=c2ccc(Cl)cc2=C1c1ccccc1.
What is the InChIKey of 5-chloro-3-phenylindol-2-one?
The InChIKey is XEPJAKGRKNLADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO/c15-10-6-7-12-11(8-10)13(14(17)16-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-chloro-3-phenylindol-2-one?
5-chloro-3-phenylindol-2-one has a molecular weight of 241.68 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenylindol-2-one is sourced from PubChem (CID 70511404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).