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

C15H10BrFN2O2 — CID 107347785

IUPAC2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione
SMILESNc1cccc(CN2C(=O)c3ccc(Br)cc3C2=O)c1F
InChIInChI=1S/C15H10BrFN2O2/c16-9-4-5-10-11(6-9)15(21)19(14(10)20)7-8-2-1-3-12(18)13(8)17/h1-6H,7,18H2
InChIKeyNHGZVBGEPHITER-UHFFFAOYSA-N
MW349.16 g/mol
LogP2.97
Rot. Bonds2

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

2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione (PubChem CID 107347785) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione
PubChem CID107347785
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione
SMILESNc1cccc(CN2C(=O)c3ccc(Br)cc3C2=O)c1F
InChIInChI=1S/C15H10BrFN2O2/c16-9-4-5-10-11(6-9)15(21)19(14(10)20)7-8-2-1-3-12(18)13(8)17/h1-6H,7,18H2
InChIKeyNHGZVBGEPHITER-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
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'}

Analyze 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-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

Related Compounds

2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
2-amino-3-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]benzoic acid
CID 151131845
2-[(4-amino-2-bromophenyl)methyl]-5-bromoisoindole-1,3-dione
CID 106674615
2-[[4-(aminomethyl)phenyl]methyl]-5-bromoisoindole-1,3-dione
CID 79689854
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
CID 43658958
2-[(3-amino-5-bromophenyl)methyl]-5-bromoisoindole-1,3-dione
CID 106674540
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
5-bromo-2-[(4,6-dichloro-3-pyridinyl)methyl]isoindole-1,3-dione
CID 106674780
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107347713
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione?
The IUPAC name of 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione (CID 107347785) is 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione.
What is the SMILES notation for 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione?
The canonical SMILES for 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione is Nc1cccc(CN2C(=O)c3ccc(Br)cc3C2=O)c1F.
What is the InChIKey of 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione?
The InChIKey is NHGZVBGEPHITER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-9-4-5-10-11(6-9)15(21)19(14(10)20)7-8-2-1-3-12(18)13(8)17/h1-6H,7,18H2.
What are the key properties of 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione?
2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione has a molecular weight of 349.16 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione is sourced from PubChem (CID 107347785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).