2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C17H16ClNO3 — CID 15018891

IUPAC2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCC1Cc2c(N3C(=O)C4=C(CCCC4)C3=O)ccc(Cl)c2O1
InChIInChI=1S/C17H16ClNO3/c1-9-8-12-14(7-6-13(18)15(12)22-9)19-16(20)10-4-2-3-5-11(10)17(19)21/h6-7,9H,2-5,8H2,1H3
InChIKeyOIKFOTBXANCNFK-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.41
Rot. Bonds1

About 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 15018891) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID15018891
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCC1Cc2c(N3C(=O)C4=C(CCCC4)C3=O)ccc(Cl)c2O1
InChIInChI=1S/C17H16ClNO3/c1-9-8-12-14(7-6-13(18)15(12)22-9)19-16(20)10-4-2-3-5-11(10)17(19)21/h6-7,9H,2-5,8H2,1H3
InChIKeyOIKFOTBXANCNFK-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 15018891) is 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is CC1Cc2c(N3C(=O)C4=C(CCCC4)C3=O)ccc(Cl)c2O1.
What is the InChIKey of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is OIKFOTBXANCNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-9-8-12-14(7-6-13(18)15(12)22-9)19-16(20)10-4-2-3-5-11(10)17(19)21/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 317.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 15018891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).