4-chloro-5-fluoro-2,3-dihydroisoindol-1-one

C8H5ClFNO — CID 130064723

IUPAC4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1ccc(F)c2Cl
InChIInChI=1S/C8H5ClFNO/c9-7-5-3-11-8(12)4(5)1-2-6(7)10/h1-2H,3H2,(H,11,12)
InChIKeyDBCSPIVEFBTEPG-UHFFFAOYSA-N
MW185.59 g/mol
LogP1.72
Rot. Bonds

About 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one

4-chloro-5-fluoro-2,3-dihydroisoindol-1-one (PubChem CID 130064723) has the molecular formula C8H5ClFNO and a molecular weight of 185.59 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
PubChem CID130064723
Molecular FormulaC8H5ClFNO
Molecular Weight185.59 g/mol
Exact Mass185.00
IUPAC Name4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1ccc(F)c2Cl
InChIInChI=1S/C8H5ClFNO/c9-7-5-3-11-8(12)4(5)1-2-6(7)10/h1-2H,3H2,(H,11,12)
InChIKeyDBCSPIVEFBTEPG-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-5-fluoro-2,3-dihydroisoindol-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

6-chloro-4-fluoro-2,3-dihydroisoindol-1-one
CID 130064719
4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
CID 172769018
4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 130116159
4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 82597832
4-chloro-5-iodo-2,3-dihydroisoindol-1-one;4-chloro-5-methylsulfonyl-2,3-dihydroisoindol-1-one
CID 158755920
4,5-dimethyl-2,3-dihydroisoindol-1-one
CID 57076044
5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 130876453
6-(2,4-dichlorophenyl)-4-methyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 76847484
6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064721
4-(2-fluoro-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996445
4-fluoro-6-methoxy-2,3-dihydroisoindol-1-one
CID 130064686
1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11372347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one (CID 130064723) is 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one is O=C1NCc2c1ccc(F)c2Cl.
What is the InChIKey of 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
The InChIKey is DBCSPIVEFBTEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO/c9-7-5-3-11-8(12)4(5)1-2-6(7)10/h1-2H,3H2,(H,11,12).
What are the key properties of 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one?
4-chloro-5-fluoro-2,3-dihydroisoindol-1-one has a molecular weight of 185.59 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130064723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).