2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide

C15H12BrNO2 — CID 132502362

IUPAC2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H12BrNO2/c1-17(13-5-3-2-4-6-13)15(19)14(18)11-7-9-12(16)10-8-11/h2-10H,1H3
InChIKeyVCOMVKRPLQKERE-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide

2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide (PubChem CID 132502362) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide
PubChem CID132502362
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H12BrNO2/c1-17(13-5-3-2-4-6-13)15(19)14(18)11-7-9-12(16)10-8-11/h2-10H,1H3
InChIKeyVCOMVKRPLQKERE-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.29
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-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide (CID 132502362) is 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide is CN(C(=O)C(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide?
The InChIKey is VCOMVKRPLQKERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-17(13-5-3-2-4-6-13)15(19)14(18)11-7-9-12(16)10-8-11/h2-10H,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide?
2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide has a molecular weight of 318.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 132502362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).