1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione

C15H8BrClFNO2 — CID 61356419

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Br)cc2F)c2cc(Cl)ccc21
InChIInChI=1S/C15H8BrClFNO2/c16-9-2-1-8(12(18)5-9)7-19-13-6-10(17)3-4-11(13)14(20)15(19)21/h1-6H,7H2
InChIKeyIUOSPPZGBLSNSJ-UHFFFAOYSA-N
MW368.59 g/mol
LogP3.97
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione

1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione (PubChem CID 61356419) has the molecular formula C15H8BrClFNO2 and a molecular weight of 368.59 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
PubChem CID61356419
Molecular FormulaC15H8BrClFNO2
Molecular Weight368.59 g/mol
Exact Mass366.94
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Br)cc2F)c2cc(Cl)ccc21
InChIInChI=1S/C15H8BrClFNO2/c16-9-2-1-8(12(18)5-9)7-19-13-6-10(17)3-4-11(13)14(20)15(19)21/h1-6H,7H2
InChIKeyIUOSPPZGBLSNSJ-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione with MolForge

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Related Compounds

1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 29272245
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 79342057
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
CID 43658958
1-[(4-chloro-2-pyridinyl)methyl]-5,6-difluoroindole-2,3-dione
CID 80727787
6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
CID 60711521
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 107882127

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione (CID 61356419) is 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione is O=C1C(=O)N(Cc2ccc(Br)cc2F)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione?
The InChIKey is IUOSPPZGBLSNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNO2/c16-9-2-1-8(12(18)5-9)7-19-13-6-10(17)3-4-11(13)14(20)15(19)21/h1-6H,7H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione?
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione has a molecular weight of 368.59 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione is sourced from PubChem (CID 61356419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).