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

C22H16Br2N2O3 — CID 1104901

IUPACN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16Br2N2O3/c23-16-8-6-15(7-9-16)22(29)25-13-20(27)26-19-11-10-17(24)12-18(19)21(28)14-4-2-1-3-5-14/h1-12H,13H2,(H,25,29)(H,26,27)
InChIKeyBVSBSJQBLYSULR-UHFFFAOYSA-N
MW516.19 g/mol
LogP4.81
Rot. Bonds6

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

N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide (PubChem CID 1104901) has the molecular formula C22H16Br2N2O3 and a molecular weight of 516.19 g/mol. Its IUPAC name is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide
PubChem CID1104901
Molecular FormulaC22H16Br2N2O3
Molecular Weight516.19 g/mol
Exact Mass513.95
IUPAC NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H16Br2N2O3/c23-16-8-6-15(7-9-16)22(29)25-13-20(27)26-19-11-10-17(24)12-18(19)21(28)14-4-2-1-3-5-14/h1-12H,13H2,(H,25,29)(H,26,27)
InChIKeyBVSBSJQBLYSULR-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.19
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide 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]-4-bromobenzamide?
The IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide (CID 1104901) is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide.
What is the SMILES notation for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide?
The canonical SMILES for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide is O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide?
The InChIKey is BVSBSJQBLYSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2N2O3/c23-16-8-6-15(7-9-16)22(29)25-13-20(27)26-19-11-10-17(24)12-18(19)21(28)14-4-2-1-3-5-14/h1-12H,13H2,(H,25,29)(H,26,27).
What are the key properties of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide?
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-bromobenzamide has a molecular weight of 516.19 g/mol, XLogP of 4.81, 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]-4-bromobenzamide is sourced from PubChem (CID 1104901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).