2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone

C8H7BrClNO2 — CID 84807436

IUPAC2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone
SMILESNCC(=O)c1c(O)cc(Cl)cc1Br
InChIInChI=1S/C8H7BrClNO2/c9-5-1-4(10)2-6(12)8(5)7(13)3-11/h1-2,12H,3,11H2
InChIKeyQKSVXUUWQHELEA-UHFFFAOYSA-N
MW264.51 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone

2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone (PubChem CID 84807436) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone
PubChem CID84807436
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone
SMILESNCC(=O)c1c(O)cc(Cl)cc1Br
InChIInChI=1S/C8H7BrClNO2/c9-5-1-4(10)2-6(12)8(5)7(13)3-11/h1-2,12H,3,11H2
InChIKeyQKSVXUUWQHELEA-UHFFFAOYSA-N
XLogP1.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone (CID 84807436) is 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone is NCC(=O)c1c(O)cc(Cl)cc1Br.
What is the InChIKey of 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone?
The InChIKey is QKSVXUUWQHELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c9-5-1-4(10)2-6(12)8(5)7(13)3-11/h1-2,12H,3,11H2.
What are the key properties of 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone?
2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone has a molecular weight of 264.51 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone is sourced from PubChem (CID 84807436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).