1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione

C16H12BrNO2 — CID 61146245

IUPAC1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(Cc1ccccc1Br)C(=O)C2=O
InChIInChI=1S/C16H12BrNO2/c1-10-5-4-7-12-14(10)18(16(20)15(12)19)9-11-6-2-3-8-13(11)17/h2-8H,9H2,1H3
InChIKeyACDXPGKDHNHAFL-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.49
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione

1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione (PubChem CID 61146245) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
PubChem CID61146245
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione
SMILESCc1cccc2c1N(Cc1ccccc1Br)C(=O)C2=O
InChIInChI=1S/C16H12BrNO2/c1-10-5-4-7-12-14(10)18(16(20)15(12)19)9-11-6-2-3-8-13(11)17/h2-8H,9H2,1H3
InChIKeyACDXPGKDHNHAFL-UHFFFAOYSA-N
XLogP3.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.49
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-fluorophenyl)methyl]indole-2,3-dione
CID 60711816
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
5-fluoro-7-methyl-1-[(2-methylphenyl)methyl]indole-2,3-dione
CID 106893652
7-bromo-1-[(3,5-dimethylphenyl)methyl]indole-2,3-dione
CID 60711509
1-[(3-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 61146711
2-(7-methyl-2,3-dioxoindol-1-yl)acetonitrile
CID 4730287
5-fluoro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
CID 106893563
7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione
CID 65317495
7-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
CID 61147506
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione (CID 61146245) is 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione is Cc1cccc2c1N(Cc1ccccc1Br)C(=O)C2=O.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione?
The InChIKey is ACDXPGKDHNHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-10-5-4-7-12-14(10)18(16(20)15(12)19)9-11-6-2-3-8-13(11)17/h2-8H,9H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione?
1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione has a molecular weight of 330.18 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-7-methylindole-2,3-dione is sourced from PubChem (CID 61146245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).