(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate

C23H18BrNO4 — CID 42963752

IUPAC(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18BrNO4/c24-19-13-7-12-18(14-19)23(28)25-15-20(26)29-22(17-10-5-2-6-11-17)21(27)16-8-3-1-4-9-16/h1-14,22H,15H2,(H,25,28)
InChIKeyTYNRKPRHHYJQTN-UHFFFAOYSA-N
MW452.30 g/mol
LogP4.35
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate

(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 42963752) has the molecular formula C23H18BrNO4 and a molecular weight of 452.30 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate
PubChem CID42963752
Molecular FormulaC23H18BrNO4
Molecular Weight452.30 g/mol
Exact Mass451.04
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18BrNO4/c24-19-13-7-12-18(14-19)23(28)25-15-20(26)29-22(17-10-5-2-6-11-17)21(27)16-8-3-1-4-9-16/h1-14,22H,15H2,(H,25,28)
InChIKeyTYNRKPRHHYJQTN-UHFFFAOYSA-N
XLogP4.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[(1R)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 41329975
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55419450
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 2340275
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 4661441
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(propanoylamino)acetate
CID 40579917
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 42969052

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate (CID 42963752) is (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(Br)c1)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is TYNRKPRHHYJQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO4/c24-19-13-7-12-18(14-19)23(28)25-15-20(26)29-22(17-10-5-2-6-11-17)21(27)16-8-3-1-4-9-16/h1-14,22H,15H2,(H,25,28).
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate?
(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 452.30 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 42963752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).