1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone

C13H15FN2O — CID 82496275

IUPAC1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-8(2)15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-6,8,15-16H,7H2,1-2H3
InChIKeyXMQVUHZAPPGBKZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.49
Rot. Bonds4

About 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone

1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 82496275) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
PubChem CID82496275
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H15FN2O/c1-8(2)15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-6,8,15-16H,7H2,1-2H3
InChIKeyXMQVUHZAPPGBKZ-UHFFFAOYSA-N
XLogP2.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96679635
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
CID 162765535
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone (CID 82496275) is 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is XMQVUHZAPPGBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8(2)15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-6,8,15-16H,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone?
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 234.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 82496275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).