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

C22H17BrN2O3 — CID 1357605

IUPACN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H17BrN2O3/c23-17-11-12-19(18(13-17)21(27)15-7-3-1-4-8-15)25-20(26)14-24-22(28)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,28)(H,25,26)
InChIKeyMAFOGJUKLWZOFE-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.05
Rot. Bonds6

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

N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide (PubChem CID 1357605) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide
PubChem CID1357605
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C22H17BrN2O3/c23-17-11-12-19(18(13-17)21(27)15-7-3-1-4-8-15)25-20(26)14-24-22(28)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,28)(H,25,26)
InChIKeyMAFOGJUKLWZOFE-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide (CID 1357605) is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide?
The InChIKey is MAFOGJUKLWZOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c23-17-11-12-19(18(13-17)21(27)15-7-3-1-4-8-15)25-20(26)14-24-22(28)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,28)(H,25,26).
What are the key properties of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide?
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]benzamide has a molecular weight of 437.29 g/mol, XLogP of 4.05, 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]benzamide is sourced from PubChem (CID 1357605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).