2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone

C9H9BrFNO — CID 84705512

IUPAC2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
SMILESCc1cc(F)c(C(=O)CN)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-5-2-8(11)6(3-7(5)10)9(13)4-12/h2-3H,4,12H2,1H3
InChIKeyQFGJVHYXKCMMBY-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.04
Rot. Bonds2

About 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone

2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone (PubChem CID 84705512) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
PubChem CID84705512
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
SMILESCc1cc(F)c(C(=O)CN)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-5-2-8(11)6(3-7(5)10)9(13)4-12/h2-3H,4,12H2,1H3
InChIKeyQFGJVHYXKCMMBY-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
CID 117364606
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
5-bromo-2-fluoro-N,N,4-trimethylbenzamide
CID 146171178
5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
CID 146171179
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
CID 84806364
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
2-amino-1-(4-bromo-2-fluoro-5-methylphenyl)propan-1-one
CID 84806363
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone (CID 84705512) is 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone is Cc1cc(F)c(C(=O)CN)cc1Br.
What is the InChIKey of 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone?
The InChIKey is QFGJVHYXKCMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-5-2-8(11)6(3-7(5)10)9(13)4-12/h2-3H,4,12H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone?
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone has a molecular weight of 246.08 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 84705512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).