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

C17H14BrClN2O — CID 135559794

IUPAC5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1cc(C)cc(/N=C2\C(=O)Nc3c2cc(Br)c(Cl)c3C)c1
InChIInChI=1S/C17H14BrClN2O/c1-8-4-9(2)6-11(5-8)20-16-12-7-13(18)14(19)10(3)15(12)21-17(16)22/h4-7H,1-3H3,(H,20,21,22)
InChIKeyWUYSEOFDGMUVPM-UHFFFAOYSA-N
MW377.67 g/mol
LogP5.10
Rot. Bonds1

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

5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135559794) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135559794
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC Name5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1cc(C)cc(/N=C2\C(=O)Nc3c2cc(Br)c(Cl)c3C)c1
InChIInChI=1S/C17H14BrClN2O/c1-8-4-9(2)6-11(5-8)20-16-12-7-13(18)14(19)10(3)15(12)21-17(16)22/h4-7H,1-3H3,(H,20,21,22)
InChIKeyWUYSEOFDGMUVPM-UHFFFAOYSA-N
XLogP5.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.67
LogP ≤ 55.10
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-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one (CID 135559794) is 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one is Cc1cc(C)cc(/N=C2\C(=O)Nc3c2cc(Br)c(Cl)c3C)c1.
What is the InChIKey of 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is WUYSEOFDGMUVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c1-8-4-9(2)6-11(5-8)20-16-12-7-13(18)14(19)10(3)15(12)21-17(16)22/h4-7H,1-3H3,(H,20,21,22).
What are the key properties of 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one?
5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one has a molecular weight of 377.67 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).