1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone

C11H11FN2O — CID 82396041

IUPAC1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H11FN2O/c1-13-6-11(15)10-5-7-4-8(12)2-3-9(7)14-10/h2-5,13-14H,6H2,1H3
InChIKeyPSZKQTQACGKGEP-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.71
Rot. Bonds3

About 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone

1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone (PubChem CID 82396041) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
PubChem CID82396041
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H11FN2O/c1-13-6-11(15)10-5-7-4-8(12)2-3-9(7)14-10/h2-5,13-14H,6H2,1H3
InChIKeyPSZKQTQACGKGEP-UHFFFAOYSA-N
XLogP1.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871
1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441
2-chloro-1-(5-fluoro-1H-indol-2-yl)ethanone
CID 45081081
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125958
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
1-(5-fluoro-1H-indol-2-yl)-4-hydroxy-4-phenylbutan-1-one
CID 58125913
3-[3,5-bis(trifluoromethyl)phenyl]-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125888
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
CID 53398780

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone (CID 82396041) is 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone is CNCC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone?
The InChIKey is PSZKQTQACGKGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-13-6-11(15)10-5-7-4-8(12)2-3-9(7)14-10/h2-5,13-14H,6H2,1H3.
What are the key properties of 1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone?
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone has a molecular weight of 206.22 g/mol, XLogP of 1.71, 3 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-2-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 82396041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).