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

C12H14BrNO2 — CID 121012234

IUPAC2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2/c1-3-14(4-2)12(16)11(15)9-7-5-6-8-10(9)13/h5-8H,3-4H2,1-2H3
InChIKeyZOYFNFCEPXRFJG-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.50
Rot. Bonds4

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

2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide (PubChem CID 121012234) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide
PubChem CID121012234
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO2/c1-3-14(4-2)12(16)11(15)9-7-5-6-8-10(9)13/h5-8H,3-4H2,1-2H3
InChIKeyZOYFNFCEPXRFJG-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromophenyl)-N,N-diethyl-2-oxoacetamide?
The IUPAC name of 2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide (CID 121012234) is 2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide?
The canonical SMILES for 2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide?
The InChIKey is ZOYFNFCEPXRFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-3-14(4-2)12(16)11(15)9-7-5-6-8-10(9)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide?
2-(2-bromophenyl)-N,N-diethyl-2-oxoacetamide has a molecular weight of 284.15 g/mol, XLogP of 2.50, 4 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-diethyl-2-oxoacetamide is sourced from PubChem (CID 121012234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).