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

C15H12BrClN2O — CID 43105626

IUPAC4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(Cl)cc1NC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C15H12BrClN2O/c1-8-5-6-9(17)7-12(8)18-14-13-10(16)3-2-4-11(13)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyNCNKRSIOHUCDFM-UHFFFAOYSA-N
MW351.63 g/mol
LogP4.52
Rot. Bonds2

About 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one

4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 43105626) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
PubChem CID43105626
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(Cl)cc1NC1C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C15H12BrClN2O/c1-8-5-6-9(17)7-12(8)18-14-13-10(16)3-2-4-11(13)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyNCNKRSIOHUCDFM-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

6-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43098794
4-bromo-3-(3-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
CID 43195608
5-chloro-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43097456
4-bromo-3-(2,4-difluoroanilino)-1,3-dihydroindol-2-one
CID 43195383
4-bromo-3-[(2-chloro-3-pyridinyl)amino]-1,3-dihydroindol-2-one
CID 43689978
2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
CID 43551820
4-bromo-3-(2-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 43824479
3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43729652
4-bromo-3-[[6-(dimethylamino)-3-pyridinyl]amino]-1,3-dihydroindol-2-one
CID 43690563
4-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196207
4-bromo-3-(3-propan-2-yloxypropylamino)-1,3-dihydroindol-2-one
CID 43207444
3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43201943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one (CID 43105626) is 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one is Cc1ccc(Cl)cc1NC1C(=O)Nc2cccc(Br)c21.
What is the InChIKey of 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is NCNKRSIOHUCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-8-5-6-9(17)7-12(8)18-14-13-10(16)3-2-4-11(13)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one?
4-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 4-bromo-3-(5-chloro-2-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43105626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).