4,5-dichloro-2,3-dihydroisoindol-1-one

C8H5Cl2NO — CID 23346415

IUPAC4,5-dichloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H5Cl2NO/c9-6-2-1-4-5(7(6)10)3-11-8(4)12/h1-2H,3H2,(H,11,12)
InChIKeyANQDFOAOUUPTIU-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.24
Rot. Bonds

About 4,5-dichloro-2,3-dihydroisoindol-1-one

4,5-dichloro-2,3-dihydroisoindol-1-one (PubChem CID 23346415) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 4,5-dichloro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4,5-dichloro-2,3-dihydroisoindol-1-one
PubChem CID23346415
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name4,5-dichloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H5Cl2NO/c9-6-2-1-4-5(7(6)10)3-11-8(4)12/h1-2H,3H2,(H,11,12)
InChIKeyANQDFOAOUUPTIU-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2,3-dihydroisoindol-1-one?
The IUPAC name of 4,5-dichloro-2,3-dihydroisoindol-1-one (CID 23346415) is 4,5-dichloro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4,5-dichloro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4,5-dichloro-2,3-dihydroisoindol-1-one is O=C1NCc2c1ccc(Cl)c2Cl.
What is the InChIKey of 4,5-dichloro-2,3-dihydroisoindol-1-one?
The InChIKey is ANQDFOAOUUPTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-6-2-1-4-5(7(6)10)3-11-8(4)12/h1-2H,3H2,(H,11,12).
What are the key properties of 4,5-dichloro-2,3-dihydroisoindol-1-one?
4,5-dichloro-2,3-dihydroisoindol-1-one has a molecular weight of 202.04 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 23346415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).