2-(2-aminophenyl)acetyl bromide;hydrobromide

C8H9Br2NO — CID 71437218

IUPAC2-(2-aminophenyl)acetyl bromide;hydrobromide
SMILESBr.Nc1ccccc1CC(=O)Br
InChIInChI=1S/C8H8BrNO.BrH/c9-8(11)5-6-3-1-2-4-7(6)10;/h1-4H,5,10H2;1H
InChIKeySPANSXCOKJJGDV-UHFFFAOYSA-N
MW294.97 g/mol
LogP2.31
Rot. Bonds2

About 2-(2-aminophenyl)acetyl bromide;hydrobromide

2-(2-aminophenyl)acetyl bromide;hydrobromide (PubChem CID 71437218) has the molecular formula C8H9Br2NO and a molecular weight of 294.97 g/mol. Its IUPAC name is 2-(2-aminophenyl)acetyl bromide;hydrobromide.

Molecular Properties

Compound Name2-(2-aminophenyl)acetyl bromide;hydrobromide
PubChem CID71437218
Molecular FormulaC8H9Br2NO
Molecular Weight294.97 g/mol
Exact Mass292.91
IUPAC Name2-(2-aminophenyl)acetyl bromide;hydrobromide
SMILESBr.Nc1ccccc1CC(=O)Br
InChIInChI=1S/C8H8BrNO.BrH/c9-8(11)5-6-3-1-2-4-7(6)10;/h1-4H,5,10H2;1H
InChIKeySPANSXCOKJJGDV-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-(2-bromophenyl)acetyl bromide
CID 87290551
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
5-(2-aminophenyl)-4-oxopentanoic acid
CID 161359618
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
2-(2-aminophenyl)-N,N-diphenylacetamide
CID 156705003
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
2-ethylaniline;sulfuric acid
CID 67820112
2-(2-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204617

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)acetyl bromide;hydrobromide?
The IUPAC name of 2-(2-aminophenyl)acetyl bromide;hydrobromide (CID 71437218) is 2-(2-aminophenyl)acetyl bromide;hydrobromide.
What is the SMILES notation for 2-(2-aminophenyl)acetyl bromide;hydrobromide?
The canonical SMILES for 2-(2-aminophenyl)acetyl bromide;hydrobromide is Br.Nc1ccccc1CC(=O)Br.
What is the InChIKey of 2-(2-aminophenyl)acetyl bromide;hydrobromide?
The InChIKey is SPANSXCOKJJGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO.BrH/c9-8(11)5-6-3-1-2-4-7(6)10;/h1-4H,5,10H2;1H.
What are the key properties of 2-(2-aminophenyl)acetyl bromide;hydrobromide?
2-(2-aminophenyl)acetyl bromide;hydrobromide has a molecular weight of 294.97 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)acetyl bromide;hydrobromide is sourced from PubChem (CID 71437218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).