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

C17H14BrClN2O3 — CID 135559792

IUPAC5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3c2cc(Br)c(Cl)c3C)c(OC)c1
InChIInChI=1S/C17H14BrClN2O3/c1-8-14(19)11(18)7-10-15(8)21-17(22)16(10)20-12-5-4-9(23-2)6-13(12)24-3/h4-7H,1-3H3,(H,20,21,22)
InChIKeyUGVWLRNZSCQMPU-UHFFFAOYSA-N
MW409.67 g/mol
LogP4.50
Rot. Bonds3

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

5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135559792) has the molecular formula C17H14BrClN2O3 and a molecular weight of 409.67 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135559792
Molecular FormulaC17H14BrClN2O3
Molecular Weight409.67 g/mol
Exact Mass407.99
IUPAC Name5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)Nc3c2cc(Br)c(Cl)c3C)c(OC)c1
InChIInChI=1S/C17H14BrClN2O3/c1-8-14(19)11(18)7-10-15(8)21-17(22)16(10)20-12-5-4-9(23-2)6-13(12)24-3/h4-7H,1-3H3,(H,20,21,22)
InChIKeyUGVWLRNZSCQMPU-UHFFFAOYSA-N
XLogP4.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-chloro-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559793
6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559647
5-bromo-3-(4-bromo-2-methylphenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559807
5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559720
5-bromo-6-chloro-3-(3,5-dimethylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559794
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135834941
5-bromo-3-(2-methoxyphenyl)imino-1H-indol-2-one
CID 135458707
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508
(5Z)-2-(2,4-dimethoxyphenyl)imino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135834922
5,7-dichloro-3-(3,4,5-trimethoxyphenyl)imino-1H-indol-2-one
CID 135537853
6-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one (CID 135559792) is 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one is COc1ccc(/N=C2\C(=O)Nc3c2cc(Br)c(Cl)c3C)c(OC)c1.
What is the InChIKey of 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is UGVWLRNZSCQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O3/c1-8-14(19)11(18)7-10-15(8)21-17(22)16(10)20-12-5-4-9(23-2)6-13(12)24-3/h4-7H,1-3H3,(H,20,21,22).
What are the key properties of 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one?
5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one has a molecular weight of 409.67 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(2,4-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).