1-(2-bromo-6-chlorophenyl)-3H-indol-2-one

C14H9BrClNO — CID 66524402

IUPAC1-(2-bromo-6-chlorophenyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1c(Cl)cccc1Br
InChIInChI=1S/C14H9BrClNO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2
InChIKeyCMBSFZZHGLVIPB-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.32
Rot. Bonds1

About 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one

1-(2-bromo-6-chlorophenyl)-3H-indol-2-one (PubChem CID 66524402) has the molecular formula C14H9BrClNO and a molecular weight of 322.59 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)-3H-indol-2-one
PubChem CID66524402
Molecular FormulaC14H9BrClNO
Molecular Weight322.59 g/mol
Exact Mass320.96
IUPAC Name1-(2-bromo-6-chlorophenyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1c(Cl)cccc1Br
InChIInChI=1S/C14H9BrClNO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2
InChIKeyCMBSFZZHGLVIPB-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one (CID 66524402) is 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one is O=C1Cc2ccccc2N1c1c(Cl)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one?
The InChIKey is CMBSFZZHGLVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2.
What are the key properties of 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one?
1-(2-bromo-6-chlorophenyl)-3H-indol-2-one has a molecular weight of 322.59 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)-3H-indol-2-one is sourced from PubChem (CID 66524402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).