5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one

C16H11Br2ClN2O — CID 135559807

IUPAC5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
SMILESCc1cc(Br)ccc1/N=C1\C(=O)Nc2c1cc(Br)c(Cl)c2C
InChIInChI=1S/C16H11Br2ClN2O/c1-7-5-9(17)3-4-12(7)20-15-10-6-11(18)13(19)8(2)14(10)21-16(15)22/h3-6H,1-2H3,(H,20,21,22)
InChIKeyNOZSYHOPMPQNPJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.55
Rot. Bonds1

About 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one

5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one (PubChem CID 135559807) has the molecular formula C16H11Br2ClN2O and a molecular weight of 442.54 g/mol. Its IUPAC name is 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
PubChem CID135559807
Molecular FormulaC16H11Br2ClN2O
Molecular Weight442.54 g/mol
Exact Mass439.89
IUPAC Name5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
SMILESCc1cc(Br)ccc1/N=C1\C(=O)Nc2c1cc(Br)c(Cl)c2C
InChIInChI=1S/C16H11Br2ClN2O/c1-7-5-9(17)3-4-12(7)20-15-10-6-11(18)13(19)8(2)14(10)21-16(15)22/h3-6H,1-2H3,(H,20,21,22)
InChIKeyNOZSYHOPMPQNPJ-UHFFFAOYSA-N
XLogP5.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.55
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 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one (CID 135559807) is 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one is Cc1cc(Br)ccc1/N=C1\C(=O)Nc2c1cc(Br)c(Cl)c2C.
What is the InChIKey of 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
The InChIKey is NOZSYHOPMPQNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2ClN2O/c1-7-5-9(17)3-4-12(7)20-15-10-6-11(18)13(19)8(2)14(10)21-16(15)22/h3-6H,1-2H3,(H,20,21,22).
What are the key properties of 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one?
5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one has a molecular weight of 442.54 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).