3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one

C14H18F2N2O2 — CID 106675417

IUPAC3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one
SMILESCOC(C)(C)CCN1C(=O)C(N)c2c(F)cc(F)cc21
InChIInChI=1S/C14H18F2N2O2/c1-14(2,20-3)4-5-18-10-7-8(15)6-9(16)11(10)12(17)13(18)19/h6-7,12H,4-5,17H2,1-3H3
InChIKeyUCDDZZKIGUHTHU-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one

3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one (PubChem CID 106675417) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one
PubChem CID106675417
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one
SMILESCOC(C)(C)CCN1C(=O)C(N)c2c(F)cc(F)cc21
InChIInChI=1S/C14H18F2N2O2/c1-14(2,20-3)4-5-18-10-7-8(15)6-9(16)11(10)12(17)13(18)19/h6-7,12H,4-5,17H2,1-3H3
InChIKeyUCDDZZKIGUHTHU-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one?
The IUPAC name of 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one (CID 106675417) is 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one is COC(C)(C)CCN1C(=O)C(N)c2c(F)cc(F)cc21.
What is the InChIKey of 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one?
The InChIKey is UCDDZZKIGUHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(2,20-3)4-5-18-10-7-8(15)6-9(16)11(10)12(17)13(18)19/h6-7,12H,4-5,17H2,1-3H3.
What are the key properties of 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one?
3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-difluoro-1-(3-methoxy-3-methylbutyl)-3H-indol-2-one is sourced from PubChem (CID 106675417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).