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

C14H14BrFN2O3 — CID 79174305

IUPAC7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)C1
InChIInChI=1S/C14H14BrFN2O3/c1-17-2-3-21-9(6-17)7-18-12-10(13(19)14(18)20)4-8(16)5-11(12)15/h4-5,9H,2-3,6-7H2,1H3
InChIKeyHRCSKUKBDJHMDU-UHFFFAOYSA-N
MW357.18 g/mol
LogP1.45
Rot. Bonds2

About 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (PubChem CID 79174305) has the molecular formula C14H14BrFN2O3 and a molecular weight of 357.18 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
PubChem CID79174305
Molecular FormulaC14H14BrFN2O3
Molecular Weight357.18 g/mol
Exact Mass356.02
IUPAC Name7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)C1
InChIInChI=1S/C14H14BrFN2O3/c1-17-2-3-21-9(6-17)7-18-12-10(13(19)14(18)20)4-8(16)5-11(12)15/h4-5,9H,2-3,6-7H2,1H3
InChIKeyHRCSKUKBDJHMDU-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'}

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Related Compounds

7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79171085
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175165
7-bromo-5-fluoro-1-[(5-methyloxolan-2-yl)methyl]indole-2,3-dione
CID 103135050
7-bromo-5-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 61354780
7-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]-5-fluoroindole-2,3-dione
CID 66473136
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79172063
7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione
CID 61356601
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
7-bromo-5-fluoro-1-(3-oxobutyl)indole-2,3-dione
CID 62023663
2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172288
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid
CID 61355936

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (CID 79174305) is 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is CN1CCOC(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)C1.
What is the InChIKey of 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The InChIKey is HRCSKUKBDJHMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O3/c1-17-2-3-21-9(6-17)7-18-12-10(13(19)14(18)20)4-8(16)5-11(12)15/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
7-bromo-5-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 7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79174305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).