[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate

C22H16BrNO4 — CID 4664729

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
SMILESO=C(COC(=O)c1ccccc1Br)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H16BrNO4/c23-18-12-6-4-10-16(18)22(27)28-14-20(25)24-19-13-7-5-11-17(19)21(26)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,25)
InChIKeyAYEJXHGHCZXYJH-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.48
Rot. Bonds6

About [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate

[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate (PubChem CID 4664729) has the molecular formula C22H16BrNO4 and a molecular weight of 438.28 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
PubChem CID4664729
Molecular FormulaC22H16BrNO4
Molecular Weight438.28 g/mol
Exact Mass437.03
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
SMILESO=C(COC(=O)c1ccccc1Br)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H16BrNO4/c23-18-12-6-4-10-16(18)22(27)28-14-20(25)24-19-13-7-5-11-17(19)21(26)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,25)
InChIKeyAYEJXHGHCZXYJH-UHFFFAOYSA-N
XLogP4.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210429
[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 7766787
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773
[2-(2-benzoylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2365630
[2-(2-nitroanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7865591
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670728
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 7775273

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate (CID 4664729) is [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate is O=C(COC(=O)c1ccccc1Br)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate?
The InChIKey is AYEJXHGHCZXYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO4/c23-18-12-6-4-10-16(18)22(27)28-14-20(25)24-19-13-7-5-11-17(19)21(26)15-8-2-1-3-9-15/h1-13H,14H2,(H,24,25).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate?
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate has a molecular weight of 438.28 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate is sourced from PubChem (CID 4664729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).