3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one

C19H16Cl2FNO2 — CID 67573184

IUPAC3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccc(F)cc2C1(O)CCC=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2FNO2/c1-23-18(24)14-7-6-13(22)11-15(14)19(23,25)9-3-2-4-12-5-8-16(20)17(21)10-12/h2,4-8,10-11,25H,3,9H2,1H3
InChIKeyHHBXNJGOLNZFMH-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.86
Rot. Bonds4

About 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one

3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one (PubChem CID 67573184) has the molecular formula C19H16Cl2FNO2 and a molecular weight of 380.25 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one
PubChem CID67573184
Molecular FormulaC19H16Cl2FNO2
Molecular Weight380.25 g/mol
Exact Mass379.05
IUPAC Name3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one
SMILESCN1C(=O)c2ccc(F)cc2C1(O)CCC=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2FNO2/c1-23-18(24)14-7-6-13(22)11-15(14)19(23,25)9-3-2-4-12-5-8-16(20)17(21)10-12/h2,4-8,10-11,25H,3,9H2,1H3
InChIKeyHHBXNJGOLNZFMH-UHFFFAOYSA-N
XLogP4.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-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

2-[2-(2-Fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
CID 3237528
4,5-Dichloro-2-[(dibenzylamino)carbonyl]benzoic acid
CID 2913725
2-(2-Aminoethyl)-3-(4-chlorophenyl)-3-hydroxy-1-isoindolinone
CID 330747
2-(4-Chlorobenzyl)-3-(4-chlorophenyl)-3-hydroxyisoindolinone
CID 51349563
3-(4-Chlorophenyl)-3-hydroxy-2-phenethylisoindolin-1-one
CID 51349836
4,5-Dichloro-2-(pyrrolidinylcarbonyl)benzoic acid
CID 1121529
3-(4-Chlorophenyl)-2-ethyl-3-hydroxy-1-isoindolinone
CID 395642
3-(4-Chlorophenyl)-3-hydroxy-2-benzylisoindolin-1-one
CID 3608080
3-(4-Chlorophenyl)-3-(3-hydroxypropoxy)-2-propylisoindol-1-one
CID 16090463
3-(4-Chlorophenyl)-3-hydroxy-2-propylisoindolin-1-one
CID 51349561
3-(4-Chlorophenyl)-2-(4-fluorobenzyl)-3-hydroxy-2,3-dihydroisoindol-1-one
CID 51349562
3-(4-Chlorophenyl)-3-hydroxy-2-(4-iodobenzyl)-2,3-dihydroisoindol-1-one
CID 51349699

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one (CID 67573184) is 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one is CN1C(=O)c2ccc(F)cc2C1(O)CCC=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one?
The InChIKey is HHBXNJGOLNZFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FNO2/c1-23-18(24)14-7-6-13(22)11-15(14)19(23,25)9-3-2-4-12-5-8-16(20)17(21)10-12/h2,4-8,10-11,25H,3,9H2,1H3.
What are the key properties of 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one?
3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one has a molecular weight of 380.25 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-3-hydroxy-2-methylisoindol-1-one is sourced from PubChem (CID 67573184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).