3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one

C15H13BrN2O — CID 43194493

IUPAC3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccccc1Br)C(=O)N2
InChIInChI=1S/C15H13BrN2O/c1-9-6-7-12-10(8-9)14(15(19)18-12)17-13-5-3-2-4-11(13)16/h2-8,14,17H,1H3,(H,18,19)
InChIKeyAKLNLXYKLYMNKY-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.86
Rot. Bonds2

About 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one

3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43194493) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43194493
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1ccccc1Br)C(=O)N2
InChIInChI=1S/C15H13BrN2O/c1-9-6-7-12-10(8-9)14(15(19)18-12)17-13-5-3-2-4-11(13)16/h2-8,14,17H,1H3,(H,18,19)
InChIKeyAKLNLXYKLYMNKY-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one (CID 43194493) is 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Nc1ccccc1Br)C(=O)N2.
What is the InChIKey of 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is AKLNLXYKLYMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9-6-7-12-10(8-9)14(15(19)18-12)17-13-5-3-2-4-11(13)16/h2-8,14,17H,1H3,(H,18,19).
What are the key properties of 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one?
3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43194493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).