2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone

C10H11BrFNO — CID 84806364

IUPAC2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
SMILESCc1c(F)cc(C(=O)CN)c(C)c1Br
InChIInChI=1S/C10H11BrFNO/c1-5-7(9(14)4-13)3-8(12)6(2)10(5)11/h3H,4,13H2,1-2H3
InChIKeyXDMYNABGLZDSLA-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.35
Rot. Bonds2

About 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone

2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone (PubChem CID 84806364) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
PubChem CID84806364
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
SMILESCc1c(F)cc(C(=O)CN)c(C)c1Br
InChIInChI=1S/C10H11BrFNO/c1-5-7(9(14)4-13)3-8(12)6(2)10(5)11/h3H,4,13H2,1-2H3
InChIKeyXDMYNABGLZDSLA-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
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
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
CID 117364606
2-amino-1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)ethanone
CID 84713144
2-amino-1-(2,4,5-trifluoro-3-hydroxyphenyl)ethanone
CID 117115595
2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
CID 84801502
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
2-amino-1-(3-chloro-2,4,5-trifluorophenyl)ethanone
CID 117115593
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone (CID 84806364) is 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone is Cc1c(F)cc(C(=O)CN)c(C)c1Br.
What is the InChIKey of 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone?
The InChIKey is XDMYNABGLZDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-5-7(9(14)4-13)3-8(12)6(2)10(5)11/h3H,4,13H2,1-2H3.
What are the key properties of 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone?
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone has a molecular weight of 260.11 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 84806364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).