3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one

C14H20FN3O — CID 43255106

IUPAC3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
SMILESCCN(CC)CCN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C14H20FN3O/c1-3-17(4-2)7-8-18-12-9-10(15)5-6-11(12)13(16)14(18)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3
InChIKeyYPZYMXCYHKXTBM-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one

3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one (PubChem CID 43255106) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
PubChem CID43255106
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one
SMILESCCN(CC)CCN1C(=O)C(N)c2ccc(F)cc21
InChIInChI=1S/C14H20FN3O/c1-3-17(4-2)7-8-18-12-9-10(15)5-6-11(12)13(16)14(18)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3
InChIKeyYPZYMXCYHKXTBM-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
3-amino-6-fluoro-1-(2-methylbutyl)-3H-indol-2-one
CID 114999710
5-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)pentanenitrile
CID 114996340
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 43255125
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one
CID 43255133
2-(3-amino-6-fluoro-2-oxo-3H-indol-1-yl)-N-(2-methylpropyl)acetamide
CID 43255159
3-amino-6-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 43255296
7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
CID 62987546
(15S,19R)-17-[2-(diethylamino)ethyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1126099
3-amino-5-fluoro-1-[(4-fluorophenyl)methyl]-3H-indol-2-one;hydrochloride
CID 71432564

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
The IUPAC name of 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one (CID 43255106) is 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one is CCN(CC)CCN1C(=O)C(N)c2ccc(F)cc21.
What is the InChIKey of 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
The InChIKey is YPZYMXCYHKXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-3-17(4-2)7-8-18-12-9-10(15)5-6-11(12)13(16)14(18)19/h5-6,9,13H,3-4,7-8,16H2,1-2H3.
What are the key properties of 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one?
3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one has a molecular weight of 265.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(diethylamino)ethyl]-6-fluoro-3H-indol-2-one is sourced from PubChem (CID 43255106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).