4-bromo-7-chloro-2,3-dihydroisoindol-1-one

C8H5BrClNO — CID 130064759

IUPAC4-bromo-7-chloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C8H5BrClNO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12)
InChIKeyPSPOVIJWZMWMLT-UHFFFAOYSA-N
MW246.49 g/mol
LogP2.35
Rot. Bonds

About 4-bromo-7-chloro-2,3-dihydroisoindol-1-one

4-bromo-7-chloro-2,3-dihydroisoindol-1-one (PubChem CID 130064759) has the molecular formula C8H5BrClNO and a molecular weight of 246.49 g/mol. Its IUPAC name is 4-bromo-7-chloro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-bromo-7-chloro-2,3-dihydroisoindol-1-one
PubChem CID130064759
Molecular FormulaC8H5BrClNO
Molecular Weight246.49 g/mol
Exact Mass244.92
IUPAC Name4-bromo-7-chloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C8H5BrClNO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12)
InChIKeyPSPOVIJWZMWMLT-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-7-chloro-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

4-Bromoisoindolin-1-one
CID 21907509
Ethyl 5-bromo-2-chlorobenzamide
CID 974924
7-Bromo-2,3-dihydro-1H-isoindol-1-one
CID 15315310
7-chloro-2,3-dihydro-1H-isoindol-1-one
CID 22136835
4-chloro-2,3-dihydro-1H-isoindol-1-one
CID 53404273
5-Bromo-8-chloro-1,2,3,4-tetrahydroisoquinolin-1-one
CID 66159184
5-Bromo-7-chloro-1-isoindolinone
CID 70805867
5-Bromo-7-chloro-2-(4-fluoro-benzyl)-2,3-dihydro-isoindol-1-one
CID 57949287
4-bromo-7-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 130064737
7-Chloro-4-fluoro-2,3-dihydroisoindol-1-one
CID 130064720
4-Chloro-7-fluoro-2,3-dihydroisoindol-1-one
CID 130064728
7-Bromo-4-fluoro-isoindolin-1-one
CID 130064730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one (CID 130064759) is 4-bromo-7-chloro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-bromo-7-chloro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-bromo-7-chloro-2,3-dihydroisoindol-1-one is O=C1NCc2c(Br)ccc(Cl)c21.
What is the InChIKey of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one?
The InChIKey is PSPOVIJWZMWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3H2,(H,11,12).
What are the key properties of 4-bromo-7-chloro-2,3-dihydroisoindol-1-one?
4-bromo-7-chloro-2,3-dihydroisoindol-1-one has a molecular weight of 246.49 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chloro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130064759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).