2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid

C10H8BrNO4 — CID 2214141

IUPAC2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid
SMILESCC(=O)Nc1ccc(Br)cc1C(=O)C(=O)O
InChIInChI=1S/C10H8BrNO4/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(15)16/h2-4H,1H3,(H,12,13)(H,15,16)
InChIKeyMNKCJYWYVJVWCI-UHFFFAOYSA-N
MW286.08 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid

2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid (PubChem CID 2214141) has the molecular formula C10H8BrNO4 and a molecular weight of 286.08 g/mol. Its IUPAC name is 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid
PubChem CID2214141
Molecular FormulaC10H8BrNO4
Molecular Weight286.08 g/mol
Exact Mass284.96
IUPAC Name2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid
SMILESCC(=O)Nc1ccc(Br)cc1C(=O)C(=O)O
InChIInChI=1S/C10H8BrNO4/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(15)16/h2-4H,1H3,(H,12,13)(H,15,16)
InChIKeyMNKCJYWYVJVWCI-UHFFFAOYSA-N
XLogP1.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid (CID 2214141) is 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid is CC(=O)Nc1ccc(Br)cc1C(=O)C(=O)O.
What is the InChIKey of 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid?
The InChIKey is MNKCJYWYVJVWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(15)16/h2-4H,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid?
2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid has a molecular weight of 286.08 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-bromophenyl)-2-oxoacetic acid is sourced from PubChem (CID 2214141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).