1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone

C8H6BrCl2NO — CID 171011675

IUPAC1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone
SMILESNc1cc(Cl)c(C(=O)CCl)c(Br)c1
InChIInChI=1S/C8H6BrCl2NO/c9-5-1-4(12)2-6(11)8(5)7(13)3-10/h1-2H,3,12H2
InChIKeyRZNWNTMDWAYPTR-UHFFFAOYSA-N
MW282.95 g/mol
LogP3.11
Rot. Bonds2

About 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone

1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone (PubChem CID 171011675) has the molecular formula C8H6BrCl2NO and a molecular weight of 282.95 g/mol. Its IUPAC name is 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone
PubChem CID171011675
Molecular FormulaC8H6BrCl2NO
Molecular Weight282.95 g/mol
Exact Mass280.90
IUPAC Name1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone
SMILESNc1cc(Cl)c(C(=O)CCl)c(Br)c1
InChIInChI=1S/C8H6BrCl2NO/c9-5-1-4(12)2-6(11)8(5)7(13)3-10/h1-2H,3,12H2
InChIKeyRZNWNTMDWAYPTR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-(2-amino-4-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011742
1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
CID 171014015
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
2-chloro-1-(2,6-dichloro-4-iodophenyl)ethanone
CID 130153516
2-bromo-1-(2-bromo-4,6-dichlorophenyl)ethanone
CID 171032915
3-bromo-4,5-dichloroaniline
CID 91681180
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
CID 171016467
1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone
CID 171004358
2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
CID 171030308
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198
1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
CID 171021253

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone?
The IUPAC name of 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone (CID 171011675) is 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone?
The canonical SMILES for 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone is Nc1cc(Cl)c(C(=O)CCl)c(Br)c1.
What is the InChIKey of 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone?
The InChIKey is RZNWNTMDWAYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2NO/c9-5-1-4(12)2-6(11)8(5)7(13)3-10/h1-2H,3,12H2.
What are the key properties of 1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone?
1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone has a molecular weight of 282.95 g/mol, XLogP of 3.11, 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-bromo-6-chlorophenyl)-2-chloroethanone is sourced from PubChem (CID 171011675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).