2-amino-1-(2-bromo-6-chlorophenyl)ethanone

C8H7BrClNO — CID 84706659

IUPAC2-amino-1-(2-bromo-6-chlorophenyl)ethanone
SMILESNCC(=O)c1c(Cl)cccc1Br
InChIInChI=1S/C8H7BrClNO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3H,4,11H2
InChIKeyYIQBRHLGZQGRBF-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.24
Rot. Bonds2

About 2-amino-1-(2-bromo-6-chlorophenyl)ethanone

2-amino-1-(2-bromo-6-chlorophenyl)ethanone (PubChem CID 84706659) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-6-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-bromo-6-chlorophenyl)ethanone
PubChem CID84706659
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name2-amino-1-(2-bromo-6-chlorophenyl)ethanone
SMILESNCC(=O)c1c(Cl)cccc1Br
InChIInChI=1S/C8H7BrClNO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3H,4,11H2
InChIKeyYIQBRHLGZQGRBF-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117398321
2-amino-1-(2-chloro-6-methylsulfonylphenyl)ethanone
CID 84706315
1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 114268997
1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 114268991
(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium
CID 18515171
2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
CID 86120715
N'-[(Z)-[amino-(2-bromo-6-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide
CID 129204019
2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 122361063
2-amino-1-(3-chloro-2-fluorophenyl)ethanone
CID 81263230

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-6-chlorophenyl)ethanone?
The IUPAC name of 2-amino-1-(2-bromo-6-chlorophenyl)ethanone (CID 84706659) is 2-amino-1-(2-bromo-6-chlorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-bromo-6-chlorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-bromo-6-chlorophenyl)ethanone is NCC(=O)c1c(Cl)cccc1Br.
What is the InChIKey of 2-amino-1-(2-bromo-6-chlorophenyl)ethanone?
The InChIKey is YIQBRHLGZQGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3H,4,11H2.
What are the key properties of 2-amino-1-(2-bromo-6-chlorophenyl)ethanone?
2-amino-1-(2-bromo-6-chlorophenyl)ethanone has a molecular weight of 248.51 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-6-chlorophenyl)ethanone is sourced from PubChem (CID 84706659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).