2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione

C22H14ClNO3 — CID 134093229

IUPAC2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(C2Cc3c(Cl)cccc3O2)cc1
InChIInChI=1S/C22H14ClNO3/c23-18-6-3-7-19-17(18)12-20(27-19)13-8-10-14(11-9-13)24-21(25)15-4-1-2-5-16(15)22(24)26/h1-11,20H,12H2
InChIKeyJQMNWRJHAPSPFN-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.82
Rot. Bonds2

About 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione

2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione (PubChem CID 134093229) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione
PubChem CID134093229
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(C2Cc3c(Cl)cccc3O2)cc1
InChIInChI=1S/C22H14ClNO3/c23-18-6-3-7-19-17(18)12-20(27-19)13-8-10-14(11-9-13)24-21(25)15-4-1-2-5-16(15)22(24)26/h1-11,20H,12H2
InChIKeyJQMNWRJHAPSPFN-UHFFFAOYSA-N
XLogP4.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione (CID 134093229) is 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(C2Cc3c(Cl)cccc3O2)cc1.
What is the InChIKey of 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione?
The InChIKey is JQMNWRJHAPSPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-18-6-3-7-19-17(18)12-20(27-19)13-8-10-14(11-9-13)24-21(25)15-4-1-2-5-16(15)22(24)26/h1-11,20H,12H2.
What are the key properties of 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione?
2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione has a molecular weight of 375.81 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 134093229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).