2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide

C9H9BrFNO2 — CID 67223969

IUPAC2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
SMILESCNC(=O)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-12-9(14)8(13)6-3-2-5(10)4-7(6)11/h2-4,8,13H,1H3,(H,12,14)
InChIKeyLQSHPCOYNHDULH-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.37
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide

2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide (PubChem CID 67223969) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
PubChem CID67223969
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide
SMILESCNC(=O)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-12-9(14)8(13)6-3-2-5(10)4-7(6)11/h2-4,8,13H,1H3,(H,12,14)
InChIKeyLQSHPCOYNHDULH-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluorophenyl)-2-hydroxyacetamide
CID 62225649
2-(4-bromo-2-fluorophenyl)-N-tert-butyl-2-chloroacetamide
CID 62226278
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-(4-bromo-2-fluorophenyl)-2-chloro-N-propan-2-ylacetamide
CID 62226447
3-(4-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398266
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
CID 81327934
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 43364618
2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid
CID 63701357
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide (CID 67223969) is 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide is CNC(=O)C(O)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide?
The InChIKey is LQSHPCOYNHDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-12-9(14)8(13)6-3-2-5(10)4-7(6)11/h2-4,8,13H,1H3,(H,12,14).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide?
2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide has a molecular weight of 262.08 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 67223969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).