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

C15H12BrFN2O — CID 43114240

IUPAC5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3ccc(Br)cc32)c(F)c1
InChIInChI=1S/C15H12BrFN2O/c1-8-2-4-13(11(17)6-8)18-14-10-7-9(16)3-5-12(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeySFYUNEYUVGKILB-UHFFFAOYSA-N
MW335.18 g/mol
LogP4.00
Rot. Bonds2

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

5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 43114240) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
PubChem CID43114240
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3ccc(Br)cc32)c(F)c1
InChIInChI=1S/C15H12BrFN2O/c1-8-2-4-13(11(17)6-8)18-14-10-7-9(16)3-5-12(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeySFYUNEYUVGKILB-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

Analyze 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one (CID 43114240) is 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one is Cc1ccc(NC2C(=O)Nc3ccc(Br)cc32)c(F)c1.
What is the InChIKey of 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is SFYUNEYUVGKILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c1-8-2-4-13(11(17)6-8)18-14-10-7-9(16)3-5-12(10)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one?
5-bromo-3-(2-fluoro-4-methylanilino)-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 5-bromo-3-(2-fluoro-4-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43114240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).