4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one

C15H11Cl2NO2 — CID 10662876

IUPAC4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)N2c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C15H11Cl2NO2/c1-20-10-7-11(16)15(12(17)8-10)18-13-5-3-2-4-9(13)6-14(18)19/h2-5,7-8H,6H2,1H3/i2D,3D,4D,5D
InChIKeyYXIBYVVBGMUMBJ-QFFDRWTDSA-N
MW312.19 g/mol
LogP4.22
Rot. Bonds2

About 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one

4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one (PubChem CID 10662876) has the molecular formula C15H11Cl2NO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one.

Molecular Properties

Compound Name4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one
PubChem CID10662876
Molecular FormulaC15H11Cl2NO2
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)N2c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C15H11Cl2NO2/c1-20-10-7-11(16)15(12(17)8-10)18-13-5-3-2-4-9(13)6-14(18)19/h2-5,7-8H,6H2,1H3/i2D,3D,4D,5D
InChIKeyYXIBYVVBGMUMBJ-QFFDRWTDSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one?
The IUPAC name of 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one (CID 10662876) is 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one.
What is the SMILES notation for 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one?
The canonical SMILES for 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one is [2H]c1c([2H])c([2H])c2c(c1[2H])CC(=O)N2c1c(Cl)cc(OC)cc1Cl.
What is the InChIKey of 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one?
The InChIKey is YXIBYVVBGMUMBJ-QFFDRWTDSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-20-10-7-11(16)15(12(17)8-10)18-13-5-3-2-4-9(13)6-14(18)19/h2-5,7-8H,6H2,1H3/i2D,3D,4D,5D.
What are the key properties of 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one?
4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one has a molecular weight of 312.19 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetradeuterio-1-(2,6-dichloro-4-methoxyphenyl)-3H-indol-2-one is sourced from PubChem (CID 10662876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).