3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one

C15H11BrN2O — CID 135497759

IUPAC3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one
SMILESCc1cc(Br)ccc1/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C15H11BrN2O/c1-9-8-10(16)6-7-12(9)17-14-11-4-2-3-5-13(11)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyMAPXJQJZOWFCFC-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.83
Rot. Bonds1

About 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one

3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one (PubChem CID 135497759) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one
PubChem CID135497759
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one
SMILESCc1cc(Br)ccc1/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C15H11BrN2O/c1-9-8-10(16)6-7-12(9)17-14-11-4-2-3-5-13(11)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyMAPXJQJZOWFCFC-UHFFFAOYSA-N
XLogP3.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one (CID 135497759) is 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one is Cc1cc(Br)ccc1/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one?
The InChIKey is MAPXJQJZOWFCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-9-8-10(16)6-7-12(9)17-14-11-4-2-3-5-13(11)18-15(14)19/h2-8H,1H3,(H,17,18,19).
What are the key properties of 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one?
3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one has a molecular weight of 315.17 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135497759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).