6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one

C15H12Br2N2O — CID 43097215

IUPAC6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3cc(Br)ccc32)c(Br)c1
InChIInChI=1S/C15H12Br2N2O/c1-8-2-5-12(11(17)6-8)18-14-10-4-3-9(16)7-13(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyJAFRKEUNWHETOM-UHFFFAOYSA-N
MW396.08 g/mol
LogP4.63
Rot. Bonds2

About 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one

6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 43097215) has the molecular formula C15H12Br2N2O and a molecular weight of 396.08 g/mol. Its IUPAC name is 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one
PubChem CID43097215
Molecular FormulaC15H12Br2N2O
Molecular Weight396.08 g/mol
Exact Mass393.93
IUPAC Name6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3cc(Br)ccc32)c(Br)c1
InChIInChI=1S/C15H12Br2N2O/c1-8-2-5-12(11(17)6-8)18-14-10-4-3-9(16)7-13(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyJAFRKEUNWHETOM-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.08
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
CID 43195433
6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43098794
3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43729652
3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43194493
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
3-(2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43189774
6-bromo-3-[4-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 43616930
6-bromo-3-(3,4-dichloroanilino)-1,3-dihydroindol-2-one
CID 43109568
6-bromo-3-(2-methoxyethylamino)-1,3-dihydroindol-2-one
CID 43190199
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43347233
3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43201943
3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43192669

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one (CID 43097215) is 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one is Cc1ccc(NC2C(=O)Nc3cc(Br)ccc32)c(Br)c1.
What is the InChIKey of 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is JAFRKEUNWHETOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O/c1-8-2-5-12(11(17)6-8)18-14-10-4-3-9(16)7-13(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one?
6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one has a molecular weight of 396.08 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43097215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).