2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione

C15H8ClFINO2 — CID 102621745

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
SMILESO=C1c2ccc(I)cc2C(=O)N1Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H8ClFINO2/c16-13-4-1-9(17)5-8(13)7-19-14(20)11-3-2-10(18)6-12(11)15(19)21/h1-6H,7H2
InChIKeyJRMCVKSGCONGDI-UHFFFAOYSA-N
MW415.59 g/mol
LogP3.88
Rot. Bonds2

About 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione

2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione (PubChem CID 102621745) has the molecular formula C15H8ClFINO2 and a molecular weight of 415.59 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
PubChem CID102621745
Molecular FormulaC15H8ClFINO2
Molecular Weight415.59 g/mol
Exact Mass414.93
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
SMILESO=C1c2ccc(I)cc2C(=O)N1Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H8ClFINO2/c16-13-4-1-9(17)5-8(13)7-19-14(20)11-3-2-10(18)6-12(11)15(19)21/h1-6H,7H2
InChIKeyJRMCVKSGCONGDI-UHFFFAOYSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.59
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
CID 102616030
2-[(3-chloro-4-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 103042234
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione
CID 102616452
2-[(3-bromo-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 79782001
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
CID 102616446
5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 105371505
5-iodo-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 79785414
2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
CID 25417104
5-amino-2-[(4-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 114345879
2-[(2,5-difluorophenyl)methyl]-4-iodoisoindole-1,3-dione
CID 79782206
3-[(2-chloro-5-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102619555

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione (CID 102621745) is 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione is O=C1c2ccc(I)cc2C(=O)N1Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione?
The InChIKey is JRMCVKSGCONGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFINO2/c16-13-4-1-9(17)5-8(13)7-19-14(20)11-3-2-10(18)6-12(11)15(19)21/h1-6H,7H2.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione?
2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione has a molecular weight of 415.59 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione is sourced from PubChem (CID 102621745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).