1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone

C9H8BrClFNO — CID 84811946

IUPAC1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C9H8BrClFNO/c1-13-4-8(14)9-6(10)2-5(11)3-7(9)12/h2-3,13H,4H2,1H3
InChIKeyNULNBYWWJHBTDS-UHFFFAOYSA-N
MW280.52 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone

1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone (PubChem CID 84811946) has the molecular formula C9H8BrClFNO and a molecular weight of 280.52 g/mol. Its IUPAC name is 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
PubChem CID84811946
Molecular FormulaC9H8BrClFNO
Molecular Weight280.52 g/mol
Exact Mass278.95
IUPAC Name1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(F)cc(Cl)cc1Br
InChIInChI=1S/C9H8BrClFNO/c1-13-4-8(14)9-6(10)2-5(11)3-7(9)12/h2-3,13H,4H2,1H3
InChIKeyNULNBYWWJHBTDS-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497
1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
CID 117414294
1-(4-bromo-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84807262
1-(5-bromo-2-chloro-3-fluorophenyl)-2-(methylamino)ethanone
CID 117450498
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
1-(4-chloro-2,3,5-trifluorophenyl)-2-(methylamino)ethanone
CID 117108354
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
CID 84695079
1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone
CID 117471718
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
2-bromo-1-(2-bromo-6-fluoro-4-methylphenyl)ethanone
CID 131293210

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone (CID 84811946) is 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(F)cc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone?
The InChIKey is NULNBYWWJHBTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO/c1-13-4-8(14)9-6(10)2-5(11)3-7(9)12/h2-3,13H,4H2,1H3.
What are the key properties of 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone?
1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone has a molecular weight of 280.52 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84811946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).