3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one

C13H17FN2O — CID 114999710

IUPAC3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
SMILESCCC(C)CN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C13H17FN2O/c1-3-8(2)7-16-11-6-9(14)4-5-10(11)12(15)13(16)17/h4-6,8,12H,3,7,15H2,1-2H3
InChIKeyWQAQOXOUBPNZCR-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.22
Rot. Bonds3

About 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one

3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one (PubChem CID 114999710) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
PubChem CID114999710
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
SMILESCCC(C)CN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C13H17FN2O/c1-3-8(2)7-16-11-6-9(14)4-5-10(11)12(15)13(16)17/h4-6,8,12H,3,7,15H2,1-2H3
InChIKeyWQAQOXOUBPNZCR-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
CID 43255106
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255125
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255159
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
5-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)pentanenitrile
CID 114996340
3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one
CID 43255133
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43254745
3-amino-5-ethyl-1-(2-methylpropyl)-3H-indol-2-one
CID 114993578
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
3-amino-7-methyl-1-(2-methylpentyl)-3H-indol-2-one
CID 114999518

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
The IUPAC name of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one (CID 114999710) is 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one is CCC(C)CN1C(=O)C(N)c2ccc(F)cc21.
What is the InChIKey of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
The InChIKey is WQAQOXOUBPNZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-8(2)7-16-11-6-9(14)4-5-10(11)12(15)13(16)17/h4-6,8,12H,3,7,15H2,1-2H3.
What are the key properties of 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one?
3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one is sourced from PubChem (CID 114999710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).