2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide

C10H10BrNO2 — CID 134859932

IUPAC2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccccc1Br
InChIInChI=1S/C10H10BrNO2/c1-12(2)10(14)9(13)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyHZBIBZMEUPELCB-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.72
Rot. Bonds2

About 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide

2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide (PubChem CID 134859932) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide
PubChem CID134859932
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccccc1Br
InChIInChI=1S/C10H10BrNO2/c1-12(2)10(14)9(13)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyHZBIBZMEUPELCB-UHFFFAOYSA-N
XLogP1.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide 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-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide (CID 134859932) is 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide?
The InChIKey is HZBIBZMEUPELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-12(2)10(14)9(13)7-5-3-4-6-8(7)11/h3-6H,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide?
2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide has a molecular weight of 256.10 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 134859932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).