1-[(4-bromophenyl)methyl]indole-2,3-dione

C15H10BrNO2 — CID 3008304

IUPAC1-[(4-bromophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
InChIKeyDELLOEULSHGYCG-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.18
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]indole-2,3-dione

1-[(4-bromophenyl)methyl]indole-2,3-dione (PubChem CID 3008304) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]indole-2,3-dione
PubChem CID3008304
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name1-[(4-bromophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
InChIKeyDELLOEULSHGYCG-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]indole-2,3-dione?
The IUPAC name of 1-[(4-bromophenyl)methyl]indole-2,3-dione (CID 3008304) is 1-[(4-bromophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(4-bromophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 1-[(4-bromophenyl)methyl]indole-2,3-dione?
The InChIKey is DELLOEULSHGYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2.
What are the key properties of 1-[(4-bromophenyl)methyl]indole-2,3-dione?
1-[(4-bromophenyl)methyl]indole-2,3-dione has a molecular weight of 316.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 3008304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).