2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone

C11H11FN2O — CID 82659307

IUPAC2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CN)c2cccc(F)c21
InChIInChI=1S/C11H11FN2O/c1-14-6-8(10(15)5-13)7-3-2-4-9(12)11(7)14/h2-4,6H,5,13H2,1H3
InChIKeyFVTUSAMIMLMLMR-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone

2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone (PubChem CID 82659307) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone
PubChem CID82659307
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CN)c2cccc(F)c21
InChIInChI=1S/C11H11FN2O/c1-14-6-8(10(15)5-13)7-3-2-4-9(12)11(7)14/h2-4,6H,5,13H2,1H3
InChIKeyFVTUSAMIMLMLMR-UHFFFAOYSA-N
XLogP1.46
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807888
(E)-3-cyclopropyl-3-(7-fluoro-1-methylindol-3-yl)prop-2-enoic acid
CID 82279046
(7-fluoro-1-methylindol-3-yl)methanethiol
CID 117182099
8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 43832085
3-(7-fluoro-1-methylindol-3-yl)-2-methylpropan-1-amine
CID 83860070
3-bromo-7-fluoro-1-methylindole
CID 154562151
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
3-(7-fluoro-1-methylindol-3-yl)-4-methylpentanoic acid
CID 82278711
4-(3-acetyl-7-fluoroindol-1-yl)butanamide
CID 117098786
2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
CID 117115563
8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 43831713
methyl 3-(7-methoxy-1-methylindol-3-yl)-3-oxopropanoate
CID 82666025

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone?
The IUPAC name of 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone (CID 82659307) is 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CN)c2cccc(F)c21.
What is the InChIKey of 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone?
The InChIKey is FVTUSAMIMLMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-6-8(10(15)5-13)7-3-2-4-9(12)11(7)14/h2-4,6H,5,13H2,1H3.
What are the key properties of 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone?
2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone has a molecular weight of 206.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 82659307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).