2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid

C18H14ClNO4 — CID 7408960

IUPAC2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,14,16H,10H2,(H,21,22)/t14-,16-/m0/s1
InChIKeyROAIYFQOIKUWHL-HOCLYGCPSA-N
MW343.77 g/mol
LogP3.09
Rot. Bonds4

About 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid

2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid (PubChem CID 7408960) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid
PubChem CID7408960
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,14,16H,10H2,(H,21,22)/t14-,16-/m0/s1
InChIKeyROAIYFQOIKUWHL-HOCLYGCPSA-N
XLogP3.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione
CID 123294023
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 16731773
1-(3-chlorophenyl)-5-(4-chlorophenyl)-4-cyclopentylsulfanylpyrrolidine-2,3-dione
CID 123153545
4-(4-chloro-2-nitrophenyl)sulfanyl-1-(3-chlorophenyl)-5-(4-chlorophenyl)pyrrolidine-2,3-dione
CID 123798059
2-[(2R,5S,6R)-4-benzyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 86281779
2-[(2S,5R,6S)-4-benzyl-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 86281778
2-[(1S,4R,5R,7S)-2-oxo-3,4-diphenyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]acetic acid
CID 134563097
4-[[(2S)-2-(4-chlorophenyl)-5-oxo-1-phenyl-2H-pyrrol-4-yl]amino]-2-hydroxybenzoic acid
CID 29012168
2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid
CID 92980378
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
CID 1236505
ethyl (2R,3R)-2-(4-nitrophenyl)-4,5-dioxo-1-phenylpyrrolidine-3-carboxylate
CID 7381056

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid (CID 7408960) is 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid is O=C(O)C[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid?
The InChIKey is ROAIYFQOIKUWHL-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H14ClNO4/c19-12-8-6-11(7-9-12)16-14(10-15(21)22)17(23)18(24)20(16)13-4-2-1-3-5-13/h1-9,14,16H,10H2,(H,21,22)/t14-,16-/m0/s1.
What are the key properties of 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid?
2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid has a molecular weight of 343.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 7408960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).