6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one

C15H12BrClN2O — CID 43098794

IUPAC6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(Cl)cc1NC1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C15H12BrClN2O/c1-8-2-4-10(17)7-12(8)18-14-11-5-3-9(16)6-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeySOLKWIBLGDMRCF-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.52
Rot. Bonds2

About 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one

6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 43098794) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
PubChem CID43098794
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(Cl)cc1NC1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C15H12BrClN2O/c1-8-2-4-10(17)7-12(8)18-14-11-5-3-9(16)6-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeySOLKWIBLGDMRCF-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43729652
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43105626
6-bromo-3-(2-bromo-4-methylanilino)-1,3-dihydroindol-2-one
CID 43097215
6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
CID 43195433
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43347233
6-bromo-3-(3,4-dichloroanilino)-1,3-dihydroindol-2-one
CID 43109568
6-bromo-3-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43103046
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
6-bromo-3-[4-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 43616930

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one (CID 43098794) is 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one is Cc1ccc(Cl)cc1NC1C(=O)Nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is SOLKWIBLGDMRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-8-2-4-10(17)7-12(8)18-14-11-5-3-9(16)6-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one has a molecular weight of 351.63 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43098794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).