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

C15H12BrFN2O — CID 43192669

IUPAC3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
SMILESCc1cc(NC2C(=O)Nc3cc(F)ccc32)ccc1Br
InChIInChI=1S/C15H12BrFN2O/c1-8-6-10(3-5-12(8)16)18-14-11-4-2-9(17)7-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyFVTJUUJUZSYJHY-UHFFFAOYSA-N
MW335.18 g/mol
LogP4.00
Rot. Bonds2

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

3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one (PubChem CID 43192669) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
PubChem CID43192669
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
SMILESCc1cc(NC2C(=O)Nc3cc(F)ccc32)ccc1Br
InChIInChI=1S/C15H12BrFN2O/c1-8-6-10(3-5-12(8)16)18-14-11-4-2-9(17)7-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyFVTJUUJUZSYJHY-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43729652
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 43321623
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzamide
CID 43193021
6-bromo-3-(3,5-dimethylanilino)-1,3-dihydroindol-2-one
CID 43195433
4-bromo-3-(3-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
CID 43195608
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
6-bromo-3-(3,4-dichloroanilino)-1,3-dihydroindol-2-one
CID 43109568
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one (CID 43192669) is 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one is Cc1cc(NC2C(=O)Nc3cc(F)ccc32)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
The InChIKey is FVTJUUJUZSYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c1-8-6-10(3-5-12(8)16)18-14-11-4-2-9(17)7-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one?
3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one has a molecular weight of 335.18 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43192669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).