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

C14H9BrCl2N2O — CID 43347233

IUPAC3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrCl2N2O/c15-7-1-3-12(10(17)5-7)18-13-9-6-8(16)2-4-11(9)19-14(13)20/h1-6,13,18H,(H,19,20)
InChIKeySEPJWZLEILVISW-UHFFFAOYSA-N
MW372.05 g/mol
LogP4.86
Rot. Bonds2

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

3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 43347233) has the molecular formula C14H9BrCl2N2O and a molecular weight of 372.05 g/mol. Its IUPAC name is 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
PubChem CID43347233
Molecular FormulaC14H9BrCl2N2O
Molecular Weight372.05 g/mol
Exact Mass369.93
IUPAC Name3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H9BrCl2N2O/c15-7-1-3-12(10(17)5-7)18-13-9-6-8(16)2-4-11(9)19-14(13)20/h1-6,13,18H,(H,19,20)
InChIKeySEPJWZLEILVISW-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.05
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one (CID 43347233) is 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1Nc1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is SEPJWZLEILVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2O/c15-7-1-3-12(10(17)5-7)18-13-9-6-8(16)2-4-11(9)19-14(13)20/h1-6,13,18H,(H,19,20).
What are the key properties of 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one?
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 372.05 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43347233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).