N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide

C22H16BrClN2O3 — CID 1357514

IUPACN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16BrClN2O3/c23-15-10-11-19(17(12-15)21(28)14-6-2-1-3-7-14)26-20(27)13-25-22(29)16-8-4-5-9-18(16)24/h1-12H,13H2,(H,25,29)(H,26,27)
InChIKeyUWGLGCIJYJIUTE-UHFFFAOYSA-N
MW471.74 g/mol
LogP4.70
Rot. Bonds6

About N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide

N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide (PubChem CID 1357514) has the molecular formula C22H16BrClN2O3 and a molecular weight of 471.74 g/mol. Its IUPAC name is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide
PubChem CID1357514
Molecular FormulaC22H16BrClN2O3
Molecular Weight471.74 g/mol
Exact Mass470.00
IUPAC NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16BrClN2O3/c23-15-10-11-19(17(12-15)21(28)14-6-2-1-3-7-14)26-20(27)13-25-22(29)16-8-4-5-9-18(16)24/h1-12H,13H2,(H,25,29)(H,26,27)
InChIKeyUWGLGCIJYJIUTE-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.74
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide 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 N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide (CID 1357514) is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is UWGLGCIJYJIUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN2O3/c23-15-10-11-19(17(12-15)21(28)14-6-2-1-3-7-14)26-20(27)13-25-22(29)16-8-4-5-9-18(16)24/h1-12H,13H2,(H,25,29)(H,26,27).
What are the key properties of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide?
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 471.74 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 1357514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).