1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone

C9H10FNO2 — CID 82601575

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C9H10FNO2/c1-11-5-9(13)7-4-6(10)2-3-8(7)12/h2-4,11-12H,5H2,1H3
InChIKeyNRXLZNAJUWNTJM-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.93
Rot. Bonds3

About 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone (PubChem CID 82601575) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
PubChem CID82601575
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C9H10FNO2/c1-11-5-9(13)7-4-6(10)2-3-8(7)12/h2-4,11-12H,5H2,1H3
InChIKeyNRXLZNAJUWNTJM-UHFFFAOYSA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dihydroxyphenyl)-2-(methylamino)ethanone
CID 117278643
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117108344
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117108338
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531
acetyl 5-fluoro-2-hydroxybenzoate
CID 174322900
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(methylamino)ethanone
CID 53355375

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone (CID 82601575) is 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone?
The InChIKey is NRXLZNAJUWNTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11-5-9(13)7-4-6(10)2-3-8(7)12/h2-4,11-12H,5H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone has a molecular weight of 183.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82601575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).