(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one

C18H18FNO — CID 46928405

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one
SMILESCC[C@H](C(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c1-2-16(13-7-9-15(19)10-8-13)18(21)20-12-11-14-5-3-4-6-17(14)20/h3-10,16H,2,11-12H2,1H3/t16-/m0/s1
InChIKeyVZLIDIVLMYXYJE-INIZCTEOSA-N
MW283.35 g/mol
LogP3.91
Rot. Bonds3

About (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one (PubChem CID 46928405) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one
PubChem CID46928405
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one
SMILESCC[C@H](C(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO/c1-2-16(13-7-9-15(19)10-8-13)18(21)20-12-11-14-5-3-4-6-17(14)20/h3-10,16H,2,11-12H2,1H3/t16-/m0/s1
InChIKeyVZLIDIVLMYXYJE-INIZCTEOSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

Ropinirole
CID 5095
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Methyloxindole
CID 6096
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
ML252
CID 26873419
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
1-benzyl-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CID 1479828
1,4-Diphenyl-3-propyl-2-azetidinone
CID 3533883
1-Phenyloxindole
CID 314787

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one (CID 46928405) is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one is CC[C@H](C(=O)N1CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one?
The InChIKey is VZLIDIVLMYXYJE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FNO/c1-2-16(13-7-9-15(19)10-8-13)18(21)20-12-11-14-5-3-4-6-17(14)20/h3-10,16H,2,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one has a molecular weight of 283.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 46928405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).