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

C8H8BrNO — CID 21639

IUPAC2-amino-1-(4-bromophenyl)ethanone
SMILESNCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKeyZQFATRVLQKIVTH-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.59
Rot. Bonds2

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

2-amino-1-(4-bromophenyl)ethanone (PubChem CID 21639) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)ethanone
PubChem CID21639
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name2-amino-1-(4-bromophenyl)ethanone
SMILESNCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKeyZQFATRVLQKIVTH-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-amino-1-(4-bromophenyl)ethanone (CID 21639) is 2-amino-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-bromophenyl)ethanone is NCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-1-(4-bromophenyl)ethanone?
The InChIKey is ZQFATRVLQKIVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2.
What are the key properties of 2-amino-1-(4-bromophenyl)ethanone?
2-amino-1-(4-bromophenyl)ethanone has a molecular weight of 214.06 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 21639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).