2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide

C17H15BrN2O3 — CID 1357491

IUPAC2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H15BrN2O3/c1-11(21)19-10-16(22)20-15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOBIRRVNCMZECIX-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.75
Rot. Bonds5

About 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide

2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide (PubChem CID 1357491) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide
PubChem CID1357491
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C17H15BrN2O3/c1-11(21)19-10-16(22)20-15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOBIRRVNCMZECIX-UHFFFAOYSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide?
The IUPAC name of 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide (CID 1357491) is 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide?
The canonical SMILES for 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide is CC(=O)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide?
The InChIKey is OBIRRVNCMZECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-11(21)19-10-16(22)20-15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide?
2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide has a molecular weight of 375.22 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-benzoyl-4-bromophenyl)acetamide is sourced from PubChem (CID 1357491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).