(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione

C18H17ClN2O3 — CID 671547

IUPAC(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC[C@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-13-6-8-14(9-7-13)21-17(23)10-15(18(21)24)20-11-16(22)12-4-2-1-3-5-12/h1-9,15-16,20,22H,10-11H2/t15-,16+/m1/s1
InChIKeyBBRLJLXEHHYMHB-CVEARBPZSA-N
MW344.80 g/mol
LogP2.30
Rot. Bonds5

About (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione

(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione (PubChem CID 671547) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione
PubChem CID671547
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC[C@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-13-6-8-14(9-7-13)21-17(23)10-15(18(21)24)20-11-16(22)12-4-2-1-3-5-12/h1-9,15-16,20,22H,10-11H2/t15-,16+/m1/s1
InChIKeyBBRLJLXEHHYMHB-CVEARBPZSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-[(2-hydroxy-2-phenylethyl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4558033
(3R)-3-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 706667
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710173
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
N'-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
CID 5443187

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione (CID 671547) is (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione is O=C1C[C@@H](NC[C@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione?
The InChIKey is BBRLJLXEHHYMHB-CVEARBPZSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-13-6-8-14(9-7-13)21-17(23)10-15(18(21)24)20-11-16(22)12-4-2-1-3-5-12/h1-9,15-16,20,22H,10-11H2/t15-,16+/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione?
(3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione has a molecular weight of 344.80 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 671547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).