7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione

C15H9BrFNO2 — CID 60711816

IUPAC7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2F)c2c(Br)cccc21
InChIInChI=1S/C15H9BrFNO2/c16-11-6-3-5-10-13(11)18(15(20)14(10)19)8-9-4-1-2-7-12(9)17/h1-7H,8H2
InChIKeyRUULNKOVLDVQGZ-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.32
Rot. Bonds2

About 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione

7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 60711816) has the molecular formula C15H9BrFNO2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
PubChem CID60711816
Molecular FormulaC15H9BrFNO2
Molecular Weight334.14 g/mol
Exact Mass332.98
IUPAC Name7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2F)c2c(Br)cccc21
InChIInChI=1S/C15H9BrFNO2/c16-11-6-3-5-10-13(11)18(15(20)14(10)19)8-9-4-1-2-7-12(9)17/h1-7H,8H2
InChIKeyRUULNKOVLDVQGZ-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 60711867
7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
CID 61356769
7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione
CID 65317495
1-[(2-fluorophenyl)methyl]-6,7-dimethylindole-2,3-dione
CID 61356077
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
CID 61146245
5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 106893563
7-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 115983068
1-[(2,3-dichlorophenyl)methyl]-7-fluoroindole-2,3-dione
CID 107306780
3-[(7-bromo-2,3-dioxoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 62894090
7-bromo-1-[(3,5-dimethylphenyl)methyl]indole-2,3-dione
CID 60711509
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
CID 61357109
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 79342057

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione (CID 60711816) is 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccccc2F)c2c(Br)cccc21.
What is the InChIKey of 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is RUULNKOVLDVQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNO2/c16-11-6-3-5-10-13(11)18(15(20)14(10)19)8-9-4-1-2-7-12(9)17/h1-7H,8H2.
What are the key properties of 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 334.14 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 60711816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).