[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C19H16BrNO4 — CID 3557850

IUPAC[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO4/c20-15-7-3-13(4-8-15)17(22)12-25-19(24)14-5-9-16(10-6-14)21-11-1-2-18(21)23/h3-10H,1-2,11-12H2
InChIKeyJJPDAIXCBUZKCG-UHFFFAOYSA-N
MW402.24 g/mol
LogP3.62
Rot. Bonds5

About [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 3557850) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID3557850
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO4/c20-15-7-3-13(4-8-15)17(22)12-25-19(24)14-5-9-16(10-6-14)21-11-1-2-18(21)23/h3-10H,1-2,11-12H2
InChIKeyJJPDAIXCBUZKCG-UHFFFAOYSA-N
XLogP3.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8950999
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 8647555
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8883253
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
CID 8751695
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952818

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 3557850) is [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is JJPDAIXCBUZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c20-15-7-3-13(4-8-15)17(22)12-25-19(24)14-5-9-16(10-6-14)21-11-1-2-18(21)23/h3-10H,1-2,11-12H2.
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 402.24 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 3557850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).