2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione

C14H8BrFN2O2 — CID 43167704

IUPAC2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
SMILESNc1ccc(F)c(N2C(=O)c3ccc(Br)cc3C2=O)c1
InChIInChI=1S/C14H8BrFN2O2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)12-6-8(17)2-4-11(12)16/h1-6H,17H2
InChIKeyMDLLZZCLACINSM-UHFFFAOYSA-N
MW335.13 g/mol
LogP2.97
Rot. Bonds1

About 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione

2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione (PubChem CID 43167704) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
PubChem CID43167704
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
SMILESNc1ccc(F)c(N2C(=O)c3ccc(Br)cc3C2=O)c1
InChIInChI=1S/C14H8BrFN2O2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)12-6-8(17)2-4-11(12)16/h1-6H,17H2
InChIKeyMDLLZZCLACINSM-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
CID 43345931
5-amino-2-(4-bromo-2-ethylphenyl)isoindole-1,3-dione
CID 81289908
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889
5-amino-2-(2,3,5-trifluorophenyl)isoindole-1,3-dione
CID 62813021
2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
CID 1103022
2-[(4-amino-2-bromophenyl)methyl]-5-bromoisoindole-1,3-dione
CID 106674615
5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 28773130
5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione
CID 64782042
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
4-(5-bromo-2-fluorophenyl)-3-chloroaniline
CID 107615868
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione?
The IUPAC name of 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione (CID 43167704) is 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione.
What is the SMILES notation for 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione?
The canonical SMILES for 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione is Nc1ccc(F)c(N2C(=O)c3ccc(Br)cc3C2=O)c1.
What is the InChIKey of 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione?
The InChIKey is MDLLZZCLACINSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)12-6-8(17)2-4-11(12)16/h1-6H,17H2.
What are the key properties of 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione?
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione has a molecular weight of 335.13 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione is sourced from PubChem (CID 43167704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).