5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

C14H14BrFN2O3 — CID 79175166

IUPAC5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3cc(Br)c(F)cc32)C1
InChIInChI=1S/C14H14BrFN2O3/c1-17-2-3-21-8(6-17)7-18-12-5-11(16)10(15)4-9(12)13(19)14(18)20/h4-5,8H,2-3,6-7H2,1H3
InChIKeyMTZZCEMATKMIEW-UHFFFAOYSA-N
MW357.18 g/mol
LogP1.45
Rot. Bonds2

About 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (PubChem CID 79175166) has the molecular formula C14H14BrFN2O3 and a molecular weight of 357.18 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
PubChem CID79175166
Molecular FormulaC14H14BrFN2O3
Molecular Weight357.18 g/mol
Exact Mass356.02
IUPAC Name5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3cc(Br)c(F)cc32)C1
InChIInChI=1S/C14H14BrFN2O3/c1-17-2-3-21-8(6-17)7-18-12-5-11(16)10(15)4-9(12)13(19)14(18)20/h4-5,8H,2-3,6-7H2,1H3
InChIKeyMTZZCEMATKMIEW-UHFFFAOYSA-N
XLogP1.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-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

4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165
7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79174305
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79172063
7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79171085
5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 61359885
5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175334
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-fluoroindole-2,3-dione
CID 79563139
5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione
CID 61358912
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
5-bromo-6-fluoro-1-hexylindole-2,3-dione
CID 61357354
5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione
CID 64996249
5-bromo-6-fluoro-1-(3-methylsulfanylpropyl)indole-2,3-dione
CID 113473738

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (CID 79175166) is 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is CN1CCOC(CN2C(=O)C(=O)c3cc(Br)c(F)cc32)C1.
What is the InChIKey of 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The InChIKey is MTZZCEMATKMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O3/c1-17-2-3-21-8(6-17)7-18-12-5-11(16)10(15)4-9(12)13(19)14(18)20/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione has a molecular weight of 357.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79175166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).