2-(bromoamino)-1-(4-bromophenyl)ethanone

C8H7Br2NO — CID 86670861

IUPAC2-(bromoamino)-1-(4-bromophenyl)ethanone
SMILESO=C(CNBr)c1ccc(Br)cc1
InChIInChI=1S/C8H7Br2NO/c9-7-3-1-6(2-4-7)8(12)5-11-10/h1-4,11H,5H2
InChIKeyYMCNNBUHEGBWLR-UHFFFAOYSA-N
MW292.96 g/mol
LogP2.53
Rot. Bonds3

About 2-(bromoamino)-1-(4-bromophenyl)ethanone

2-(bromoamino)-1-(4-bromophenyl)ethanone (PubChem CID 86670861) has the molecular formula C8H7Br2NO and a molecular weight of 292.96 g/mol. Its IUPAC name is 2-(bromoamino)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(bromoamino)-1-(4-bromophenyl)ethanone
PubChem CID86670861
Molecular FormulaC8H7Br2NO
Molecular Weight292.96 g/mol
Exact Mass290.89
IUPAC Name2-(bromoamino)-1-(4-bromophenyl)ethanone
SMILESO=C(CNBr)c1ccc(Br)cc1
InChIInChI=1S/C8H7Br2NO/c9-7-3-1-6(2-4-7)8(12)5-11-10/h1-4,11H,5H2
InChIKeyYMCNNBUHEGBWLR-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.96
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2-(tert-butylamino)ethanone
CID 67353037
1-[4-(4-bromophenyl)phenyl]-2-hydroxyethanone
CID 123191704
3-[[2-(4-bromophenyl)-2-oxoethyl]amino]propanoic acid
CID 82101426
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
1-(4-bromophenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926841
1-(4-bromophenyl)-3-methylbut-3-en-1-one
CID 79177133
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
CID 110823643
1-(4-bromophenyl)-2-(pyridin-4-ylmethylamino)ethanone
CID 94316942
1-(4-bromophenyl)-2-(2,3-dichloroanilino)ethanone
CID 110823624
N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856376
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509

Frequently Asked Questions

What is the IUPAC name of 2-(bromoamino)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(bromoamino)-1-(4-bromophenyl)ethanone (CID 86670861) is 2-(bromoamino)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(bromoamino)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(bromoamino)-1-(4-bromophenyl)ethanone is O=C(CNBr)c1ccc(Br)cc1.
What is the InChIKey of 2-(bromoamino)-1-(4-bromophenyl)ethanone?
The InChIKey is YMCNNBUHEGBWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO/c9-7-3-1-6(2-4-7)8(12)5-11-10/h1-4,11H,5H2.
What are the key properties of 2-(bromoamino)-1-(4-bromophenyl)ethanone?
2-(bromoamino)-1-(4-bromophenyl)ethanone has a molecular weight of 292.96 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromoamino)-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 86670861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).