4,7-dichloro-2-cyclopentylisoindole-1,3-dione

C13H11Cl2NO2 — CID 25144342

IUPAC4,7-dichloro-2-cyclopentylisoindole-1,3-dione
SMILESO=C1c2c(Cl)ccc(Cl)c2C(=O)N1C1CCCC1
InChIInChI=1S/C13H11Cl2NO2/c14-8-5-6-9(15)11-10(8)12(17)16(13(11)18)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMJHLGZLKIAAXFS-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.53
Rot. Bonds1

About 4,7-dichloro-2-cyclopentylisoindole-1,3-dione

4,7-dichloro-2-cyclopentylisoindole-1,3-dione (PubChem CID 25144342) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 4,7-dichloro-2-cyclopentylisoindole-1,3-dione.

Molecular Properties

Compound Name4,7-dichloro-2-cyclopentylisoindole-1,3-dione
PubChem CID25144342
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name4,7-dichloro-2-cyclopentylisoindole-1,3-dione
SMILESO=C1c2c(Cl)ccc(Cl)c2C(=O)N1C1CCCC1
InChIInChI=1S/C13H11Cl2NO2/c14-8-5-6-9(15)11-10(8)12(17)16(13(11)18)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMJHLGZLKIAAXFS-UHFFFAOYSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

10,11,14,15,21,22,25,26-octachloro-7,18-dicyclohexyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58194115
3,4-dichloro-1-cyclohexylpyrrole-2,5-dione
CID 729254
4,5,6,7-tetrabromo-2-cyclohexylisoindole-1,3-dione
CID 17386857
2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione
CID 14274184
2-cyclodecylisoindole-1,3-dione
CID 123786237
3-chloro-1-cyclododecyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584204
2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 59861066
6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59469708
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
CID 139204663
3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583044
3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione
CID 2791451
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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-cyclopentylisoindole-1,3-dione?
The IUPAC name of 4,7-dichloro-2-cyclopentylisoindole-1,3-dione (CID 25144342) is 4,7-dichloro-2-cyclopentylisoindole-1,3-dione.
What is the SMILES notation for 4,7-dichloro-2-cyclopentylisoindole-1,3-dione?
The canonical SMILES for 4,7-dichloro-2-cyclopentylisoindole-1,3-dione is O=C1c2c(Cl)ccc(Cl)c2C(=O)N1C1CCCC1.
What is the InChIKey of 4,7-dichloro-2-cyclopentylisoindole-1,3-dione?
The InChIKey is MJHLGZLKIAAXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c14-8-5-6-9(15)11-10(8)12(17)16(13(11)18)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 4,7-dichloro-2-cyclopentylisoindole-1,3-dione?
4,7-dichloro-2-cyclopentylisoindole-1,3-dione has a molecular weight of 284.14 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-cyclopentylisoindole-1,3-dione is sourced from PubChem (CID 25144342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).