4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione

C11H10F2N2O2 — CID 61388334

IUPAC4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione
SMILESCNCCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H10F2N2O2/c1-14-2-3-15-8-5-6(12)4-7(13)9(8)10(16)11(15)17/h4-5,14H,2-3H2,1H3
InChIKeyNTXMOOMTGUYDDF-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.71
Rot. Bonds3

About 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione

4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione (PubChem CID 61388334) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione
PubChem CID61388334
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione
SMILESCNCCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H10F2N2O2/c1-14-2-3-15-8-5-6(12)4-7(13)9(8)10(16)11(15)17/h4-5,14H,2-3H2,1H3
InChIKeyNTXMOOMTGUYDDF-UHFFFAOYSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione (CID 61388334) is 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione is CNCCN1C(=O)C(=O)c2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione?
The InChIKey is NTXMOOMTGUYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-14-2-3-15-8-5-6(12)4-7(13)9(8)10(16)11(15)17/h4-5,14H,2-3H2,1H3.
What are the key properties of 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione?
4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione has a molecular weight of 240.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione is sourced from PubChem (CID 61388334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).