(3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one

C16H14FNO — CID 11536181

IUPAC(3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@@](C)(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNO/c1-16(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18(2)15(16)19/h3-10H,1-2H3/t16-/m0/s1
InChIKeyJJIOTKFUNKARAO-INIZCTEOSA-N
MW255.29 g/mol
LogP3.11
Rot. Bonds1

About (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one

(3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one (PubChem CID 11536181) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one
PubChem CID11536181
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@@](C)(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FNO/c1-16(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18(2)15(16)19/h3-10H,1-2H3/t16-/m0/s1
InChIKeyJJIOTKFUNKARAO-INIZCTEOSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-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 (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one?
The IUPAC name of (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one (CID 11536181) is (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one is CN1C(=O)[C@@](C)(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one?
The InChIKey is JJIOTKFUNKARAO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14FNO/c1-16(11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18(2)15(16)19/h3-10H,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one?
(3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one has a molecular weight of 255.29 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 11536181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).