1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone

C8H6BrCl2NO — CID 171014015

IUPAC1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
SMILESNc1cc(Cl)c(C(=O)CBr)c(Cl)c1
InChIInChI=1S/C8H6BrCl2NO/c9-3-7(13)8-5(10)1-4(12)2-6(8)11/h1-2H,3,12H2
InChIKeyKQURTAACNXYHNH-UHFFFAOYSA-N
MW282.95 g/mol
LogP3.15
Rot. Bonds2

About 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone

1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone (PubChem CID 171014015) has the molecular formula C8H6BrCl2NO and a molecular weight of 282.95 g/mol. Its IUPAC name is 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone.

Molecular Properties

Compound Name1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
PubChem CID171014015
Molecular FormulaC8H6BrCl2NO
Molecular Weight282.95 g/mol
Exact Mass280.90
IUPAC Name1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
SMILESNc1cc(Cl)c(C(=O)CBr)c(Cl)c1
InChIInChI=1S/C8H6BrCl2NO/c9-3-7(13)8-5(10)1-4(12)2-6(8)11/h1-2H,3,12H2
InChIKeyKQURTAACNXYHNH-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
CID 171022602
1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011675
2-bromo-1-(2-bromo-4,6-dichlorophenyl)ethanone
CID 171032915
2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
CID 131094732
1-(3-amino-2-bromo-6-chlorophenyl)-2-bromoethanone
CID 171012372
1-(5-amino-2-chloro-3-hydroxyphenyl)-2-bromoethanone
CID 171022520
1-(2-amino-6-bromo-3-chlorophenyl)-2-bromoethanone
CID 171012100
2-bromo-1-(2-chloro-4-iodo-6-methylphenyl)ethanone
CID 171004392
1-(4-amino-2-fluoro-6-methylphenyl)-2-bromoethanone
CID 171018038
2-bromo-1-(2,3,6-trichlorophenyl)ethanone
CID 82629678
1-(4-amino-2,5-dichlorophenyl)-2-bromoethanone
CID 171013966
2-bromo-1-(2-chloro-4-fluoro-6-methoxyphenyl)ethanone
CID 86690853

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone?
The IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone (CID 171014015) is 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone.
What is the SMILES notation for 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone?
The canonical SMILES for 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone is Nc1cc(Cl)c(C(=O)CBr)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone?
The InChIKey is KQURTAACNXYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2NO/c9-3-7(13)8-5(10)1-4(12)2-6(8)11/h1-2H,3,12H2.
What are the key properties of 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone?
1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone has a molecular weight of 282.95 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone is sourced from PubChem (CID 171014015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).