[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate

C23H18N2O4 — CID 98554295

IUPAC[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate
SMILESO=C(Oc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C23H18N2O4/c26-21-15-19(22(27)25(21)17-11-5-2-6-12-17)24-18-13-7-8-14-20(18)29-23(28)16-9-3-1-4-10-16/h1-14,19,24H,15H2/t19-/m1/s1
InChIKeyMSTZUYFPDXIAEF-LJQANCHMSA-N
MW386.41 g/mol
LogP3.65
Rot. Bonds5

About [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate

[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate (PubChem CID 98554295) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate.

Molecular Properties

Compound Name[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate
PubChem CID98554295
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate
SMILESO=C(Oc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C23H18N2O4/c26-21-15-19(22(27)25(21)17-11-5-2-6-12-17)24-18-13-7-8-14-20(18)29-23(28)16-9-3-1-4-10-16/h1-14,19,24H,15H2/t19-/m1/s1
InChIKeyMSTZUYFPDXIAEF-LJQANCHMSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860069
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
4-[2,5-dioxo-3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]benzoic acid
CID 43860704
3-[(3S)-3-(2,4-dimethoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 93235150
2-[4-[3-(2-bromoanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43860790
2-[4-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]acetic acid
CID 43827298
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298
3-[3-(2-nitroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43860735
2-hydroxy-4-[3-(2-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43826786
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051

Frequently Asked Questions

What is the IUPAC name of [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate?
The IUPAC name of [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate (CID 98554295) is [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate.
What is the SMILES notation for [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate?
The canonical SMILES for [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate is O=C(Oc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate?
The InChIKey is MSTZUYFPDXIAEF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-21-15-19(22(27)25(21)17-11-5-2-6-12-17)24-18-13-7-8-14-20(18)29-23(28)16-9-3-1-4-10-16/h1-14,19,24H,15H2/t19-/m1/s1.
What are the key properties of [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate?
[2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate has a molecular weight of 386.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]phenyl] benzoate is sourced from PubChem (CID 98554295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).