2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione

C17H12ClNO2 — CID 18451548

IUPAC2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(C2CC2)cc1Cl
InChIInChI=1S/C17H12ClNO2/c18-14-9-11(10-5-6-10)7-8-15(14)19-16(20)12-3-1-2-4-13(12)17(19)21/h1-4,7-10H,5-6H2
InChIKeyLYQYKUGOTNUHHX-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.02
Rot. Bonds2

About 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione

2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione (PubChem CID 18451548) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
PubChem CID18451548
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(C2CC2)cc1Cl
InChIInChI=1S/C17H12ClNO2/c18-14-9-11(10-5-6-10)7-8-15(14)19-16(20)12-3-1-2-4-13(12)17(19)21/h1-4,7-10H,5-6H2
InChIKeyLYQYKUGOTNUHHX-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione (CID 18451548) is 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(C2CC2)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione?
The InChIKey is LYQYKUGOTNUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-9-11(10-5-6-10)7-8-15(14)19-16(20)12-3-1-2-4-13(12)17(19)21/h1-4,7-10H,5-6H2.
What are the key properties of 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione?
2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione has a molecular weight of 297.74 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyclopropylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 18451548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).