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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Related Compounds

6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
2-Benzyl-4,5,6,7-tetrachloroisoindoline-1,3-dione
CID 983732
3,4-dichloro-N-propylbenzamide
CID 346715
4,5-Dichlorophthalimide
CID 251543
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721
(R)-3,4-dichloro-N-isopropyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
CID 11301501
(R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737939
3,4-dichloro-N-methylbenzamide
CID 347958
1-(4-Chlorophenyl)-3-oxoisoindoline
CID 5073852
1-(3,4-Dichlorobenzoyl)pyrrolidine
CID 669316
(R)-3,4-dichloro-N,2-dimethyl-N-(pyrrolidin-3-yl)benzamide
CID 45487720
(R)-3,4-dichloro-N-ethyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
CID 45487726

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).