3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one

C14H8BrCl3N2O — CID 43126586

IUPAC3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H8BrCl3N2O/c15-6-3-9(17)13(10(18)4-6)20-12-8-5-7(16)1-2-11(8)19-14(12)21/h1-5,12,20H,(H,19,21)
InChIKeyVOAVSOVYTWKSNY-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.51
Rot. Bonds2

About 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one

3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 43126586) has the molecular formula C14H8BrCl3N2O and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
PubChem CID43126586
Molecular FormulaC14H8BrCl3N2O
Molecular Weight406.49 g/mol
Exact Mass403.89
IUPAC Name3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H8BrCl3N2O/c15-6-3-9(17)13(10(18)4-6)20-12-8-5-7(16)1-2-11(8)19-14(12)21/h1-5,12,20H,(H,19,21)
InChIKeyVOAVSOVYTWKSNY-UHFFFAOYSA-N
XLogP5.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one (CID 43126586) is 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is VOAVSOVYTWKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3N2O/c15-6-3-9(17)13(10(18)4-6)20-12-8-5-7(16)1-2-11(8)19-14(12)21/h1-5,12,20H,(H,19,21).
What are the key properties of 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one?
3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 406.49 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 43126586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).