2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione

C14H7ClFNO2 — CID 18524298

IUPAC2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H7ClFNO2/c15-8-3-1-4-9(7-8)17-13(18)10-5-2-6-11(16)12(10)14(17)19/h1-7H
InChIKeyRTDVPOZCLMXMLC-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.28
Rot. Bonds1

About 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione

2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione (PubChem CID 18524298) has the molecular formula C14H7ClFNO2 and a molecular weight of 275.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione
PubChem CID18524298
Molecular FormulaC14H7ClFNO2
Molecular Weight275.67 g/mol
Exact Mass275.01
IUPAC Name2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H7ClFNO2/c15-8-3-1-4-9(7-8)17-13(18)10-5-2-6-11(16)12(10)14(17)19/h1-7H
InChIKeyRTDVPOZCLMXMLC-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.28
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-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione?
The IUPAC name of 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione (CID 18524298) is 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione is O=C1c2cccc(F)c2C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione?
The InChIKey is RTDVPOZCLMXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO2/c15-8-3-1-4-9(7-8)17-13(18)10-5-2-6-11(16)12(10)14(17)19/h1-7H.
What are the key properties of 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione?
2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione has a molecular weight of 275.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-fluoroisoindole-1,3-dione is sourced from PubChem (CID 18524298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).