3-amino-5-fluoro-1-octyl-3H-indol-2-one

C16H23FN2O — CID 43254783

IUPAC3-amino-5-fluoro-1-octyl-3H-indol-2-one
SMILESCCCCCCCCN1C(=O)C(N)c2cc(F)ccc21
InChIInChI=1S/C16H23FN2O/c1-2-3-4-5-6-7-10-19-14-9-8-12(17)11-13(14)15(18)16(19)20/h8-9,11,15H,2-7,10,18H2,1H3
InChIKeyQQWKQAZVOODDFK-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.53
Rot. Bonds7

About 3-amino-5-fluoro-1-octyl-3H-indol-2-one

3-amino-5-fluoro-1-octyl-3H-indol-2-one (PubChem CID 43254783) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-octyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-octyl-3H-indol-2-one
PubChem CID43254783
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-amino-5-fluoro-1-octyl-3H-indol-2-one
SMILESCCCCCCCCN1C(=O)C(N)c2cc(F)ccc21
InChIInChI=1S/C16H23FN2O/c1-2-3-4-5-6-7-10-19-14-9-8-12(17)11-13(14)15(18)16(19)20/h8-9,11,15H,2-7,10,18H2,1H3
InChIKeyQQWKQAZVOODDFK-UHFFFAOYSA-N
XLogP3.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)pentanenitrile
CID 114996340
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43254745
5-fluoro-1-heptylindole-2,3-dione
CID 43129613
3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
CID 43255106
2-(3-amino-5-fluoro-2-oxo-3H-indol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43254761
ethyl 2-[(5-fluoro-2-oxo-1-propyl-3H-indol-3-yl)sulfanyl]acetate
CID 102284779
(3R)-3-amino-1-[(3,4-dichlorophenyl)methyl]-5-fluoro-3H-indol-2-one
CID 51441524
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-5-chloro-1-(3-hydroxypropyl)-3H-indol-2-one
CID 82237163

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-octyl-3H-indol-2-one?
The IUPAC name of 3-amino-5-fluoro-1-octyl-3H-indol-2-one (CID 43254783) is 3-amino-5-fluoro-1-octyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-octyl-3H-indol-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-octyl-3H-indol-2-one is CCCCCCCCN1C(=O)C(N)c2cc(F)ccc21.
What is the InChIKey of 3-amino-5-fluoro-1-octyl-3H-indol-2-one?
The InChIKey is QQWKQAZVOODDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-3-4-5-6-7-10-19-14-9-8-12(17)11-13(14)15(18)16(19)20/h8-9,11,15H,2-7,10,18H2,1H3.
What are the key properties of 3-amino-5-fluoro-1-octyl-3H-indol-2-one?
3-amino-5-fluoro-1-octyl-3H-indol-2-one has a molecular weight of 278.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-octyl-3H-indol-2-one is sourced from PubChem (CID 43254783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).