(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione

C18H17ClN2O3 — CID 710161

IUPAC(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(CCO)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-13-3-7-15(8-4-13)21-17(23)11-16(18(21)24)20-14-5-1-12(2-6-14)9-10-22/h1-8,16,20,22H,9-11H2/t16-/m0/s1
InChIKeyFZHOTSGDMSHLKO-INIZCTEOSA-N
MW344.80 g/mol
LogP2.62
Rot. Bonds5

About (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione

(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione (PubChem CID 710161) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
PubChem CID710161
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(CCO)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-13-3-7-15(8-4-13)21-17(23)11-16(18(21)24)20-14-5-1-12(2-6-14)9-10-22/h1-8,16,20,22H,9-11H2/t16-/m0/s1
InChIKeyFZHOTSGDMSHLKO-INIZCTEOSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 31274782
4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
1-(4-butylphenyl)-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 138958736
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
1-[4-[[4-[3-(4-hydroxyanilino)-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 59562100
2-[4-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4852443

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione (CID 710161) is (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc(CCO)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione?
The InChIKey is FZHOTSGDMSHLKO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-13-3-7-15(8-4-13)21-17(23)11-16(18(21)24)20-14-5-1-12(2-6-14)9-10-22/h1-8,16,20,22H,9-11H2/t16-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione?
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione has a molecular weight of 344.80 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 710161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).