5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione

C15H14BrFN2O2 — CID 103072170

IUPAC5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C15H14BrFN2O2/c1-8(6-18-9-2-3-9)7-19-13-5-12(17)11(16)4-10(13)14(20)15(19)21/h4-5,9,18H,1-3,6-7H2
InChIKeyOZFHFGOKWABYCA-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.43
Rot. Bonds5

About 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione

5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione (PubChem CID 103072170) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione
PubChem CID103072170
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C15H14BrFN2O2/c1-8(6-18-9-2-3-9)7-19-13-5-12(17)11(16)4-10(13)14(20)15(19)21/h4-5,9,18H,1-3,6-7H2
InChIKeyOZFHFGOKWABYCA-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-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

7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072125
5-bromo-6-fluoro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61359301
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
CID 103072199
1-[2-(cyclopropylamino)ethyl]-5,6-difluoroindole-2,3-dione
CID 80758317
5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione
CID 61358912
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-fluoroindole-2,3-dione
CID 79563139
5-bromo-6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79360398
4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 106989742
methyl 4-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)butanoate
CID 61358323
5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 61359885
5-bromo-1-(4-chlorobut-2-enyl)-6-fluoroindole-2,3-dione
CID 77051204
5-bromo-6-fluoro-1-hexylindole-2,3-dione
CID 61357354

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione?
The IUPAC name of 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione (CID 103072170) is 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione?
The canonical SMILES for 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione is C=C(CNC1CC1)CN1C(=O)C(=O)c2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione?
The InChIKey is OZFHFGOKWABYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-8(6-18-9-2-3-9)7-19-13-5-12(17)11(16)4-10(13)14(20)15(19)21/h4-5,9,18H,1-3,6-7H2.
What are the key properties of 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione?
5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione has a molecular weight of 353.19 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione is sourced from PubChem (CID 103072170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).