2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one

C13H15FN2O2 — CID 162765535

IUPAC2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
SMILESCCNC(CO)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-2-15-12(7-17)13(18)10-6-16-11-4-3-8(14)5-9(10)11/h3-6,12,15-17H,2,7H2,1H3
InChIKeyAJJVLQXYFDKVOS-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.46
Rot. Bonds5

About 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one

2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one (PubChem CID 162765535) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
PubChem CID162765535
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
SMILESCCNC(CO)C(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O2/c1-2-15-12(7-17)13(18)10-6-16-11-4-3-8(14)5-9(10)11/h3-6,12,15-17H,2,7H2,1H3
InChIKeyAJJVLQXYFDKVOS-UHFFFAOYSA-N
XLogP1.46
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
(5-fluoro-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24824341
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
[(2R)-1-(5-fluoro-1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175354667

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one?
The IUPAC name of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one (CID 162765535) is 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one is CCNC(CO)C(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one?
The InChIKey is AJJVLQXYFDKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-15-12(7-17)13(18)10-6-16-11-4-3-8(14)5-9(10)11/h3-6,12,15-17H,2,7H2,1H3.
What are the key properties of 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one?
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one has a molecular weight of 250.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 162765535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).