1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one

C11H12F2N2O — CID 82235359

IUPAC1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one
SMILESCCN1C(=O)C(NC)c2c(F)cc(F)cc21
InChIInChI=1S/C11H12F2N2O/c1-3-15-8-5-6(12)4-7(13)9(8)10(14-2)11(15)16/h4-5,10,14H,3H2,1-2H3
InChIKeyPVXHPCSSVUGBNP-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.59
Rot. Bonds2

About 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one

1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one (PubChem CID 82235359) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one
PubChem CID82235359
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one
SMILESCCN1C(=O)C(NC)c2c(F)cc(F)cc21
InChIInChI=1S/C11H12F2N2O/c1-3-15-8-5-6(12)4-7(13)9(8)10(14-2)11(15)16/h4-5,10,14H,3H2,1-2H3
InChIKeyPVXHPCSSVUGBNP-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one?
The IUPAC name of 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one (CID 82235359) is 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one?
The canonical SMILES for 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one is CCN1C(=O)C(NC)c2c(F)cc(F)cc21.
What is the InChIKey of 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one?
The InChIKey is PVXHPCSSVUGBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-3-15-8-5-6(12)4-7(13)9(8)10(14-2)11(15)16/h4-5,10,14H,3H2,1-2H3.
What are the key properties of 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one?
1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one has a molecular weight of 226.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-difluoro-3-(methylamino)-3H-indol-2-one is sourced from PubChem (CID 82235359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).