4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione

C23H17ClN2O3 — CID 123294023

IUPAC4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione
SMILESNc1cccc(C(=O)C2C(=O)C(=O)N(c3ccccc3)C2c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O3/c24-16-11-9-14(10-12-16)20-19(21(27)15-5-4-6-17(25)13-15)22(28)23(29)26(20)18-7-2-1-3-8-18/h1-13,19-20H,25H2
InChIKeyJQUQYZBKAHALLZ-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.08
Rot. Bonds4

About 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione

4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione (PubChem CID 123294023) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione
PubChem CID123294023
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione
SMILESNc1cccc(C(=O)C2C(=O)C(=O)N(c3ccccc3)C2c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O3/c24-16-11-9-14(10-12-16)20-19(21(27)15-5-4-6-17(25)13-15)22(28)23(29)26(20)18-7-2-1-3-8-18/h1-13,19-20H,25H2
InChIKeyJQUQYZBKAHALLZ-UHFFFAOYSA-N
XLogP4.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid
CID 7408960
4-benzoyl-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 4218140
1-(1,3-benzothiazol-2-yl)-4-benzoyl-5-(4-chlorophenyl)pyrrolidine-2,3-dione
CID 123918730
4-benzoyl-5-[4-(hydroxyamino)phenyl]-1-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;hydrate
CID 145485506
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
4-(1-benzofuran-2-carbonyl)-5-(4-chlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 91897640
(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 16731773
ethyl (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-phenylpyrrolidine-3-carboxylate
CID 7079517
1-(3-chlorophenyl)-5-(4-chlorophenyl)-4-cyclopentylsulfanylpyrrolidine-2,3-dione
CID 123153545
[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone
CID 100992560
ethyl (2R,3R)-2-(4-nitrophenyl)-4,5-dioxo-1-phenylpyrrolidine-3-carboxylate
CID 7381056
tert-butyl 2-[2-[3-benzoyl-1-(4-methoxyphenyl)-4,5-dioxopyrrolidin-2-yl]-5-chlorophenoxy]acetate
CID 123824360

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione?
The IUPAC name of 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione (CID 123294023) is 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione?
The canonical SMILES for 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione is Nc1cccc(C(=O)C2C(=O)C(=O)N(c3ccccc3)C2c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione?
The InChIKey is JQUQYZBKAHALLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c24-16-11-9-14(10-12-16)20-19(21(27)15-5-4-6-17(25)13-15)22(28)23(29)26(20)18-7-2-1-3-8-18/h1-13,19-20H,25H2.
What are the key properties of 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione?
4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione has a molecular weight of 404.85 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 123294023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).