1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone

C10H11BrFNOS — CID 117471718

IUPAC1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(SC)c(Br)c1
InChIInChI=1S/C10H11BrFNOS/c1-13-5-9(14)6-3-7(11)10(15-2)8(12)4-6/h3-4,13H,5H2,1-2H3
InChIKeyKDMODMFQBNCARJ-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone

1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone (PubChem CID 117471718) has the molecular formula C10H11BrFNOS and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone
PubChem CID117471718
Molecular FormulaC10H11BrFNOS
Molecular Weight292.17 g/mol
Exact Mass290.97
IUPAC Name1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(SC)c(Br)c1
InChIInChI=1S/C10H11BrFNOS/c1-13-5-9(14)6-3-7(11)10(15-2)8(12)4-6/h3-4,13H,5H2,1-2H3
InChIKeyKDMODMFQBNCARJ-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone
CID 21109899
1-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117465073
1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
CID 117414294
1-(4-bromo-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84807262
2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
CID 117445656
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117439986
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 84811946
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-[3,4-bis(methylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117355944
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
1-(3-fluoro-4-pentan-3-ylphenyl)-2-(methylamino)ethanone
CID 117347376

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone (CID 117471718) is 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(F)c(SC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone?
The InChIKey is KDMODMFQBNCARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNOS/c1-13-5-9(14)6-3-7(11)10(15-2)8(12)4-6/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone?
1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone has a molecular weight of 292.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117471718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).