(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

C16H11Cl3N2O2 — CID 1118617

IUPAC(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2O2/c17-9-1-3-10(4-2-9)20-14-8-15(22)21(16(14)23)11-5-6-12(18)13(19)7-11/h1-7,14,20H,8H2/t14-/m0/s1
InChIKeyNJZLGCCEYJZWRH-AWEZNQCLSA-N
MW369.64 g/mol
LogP4.39
Rot. Bonds3

About (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 1118617) has the molecular formula C16H11Cl3N2O2 and a molecular weight of 369.64 g/mol. Its IUPAC name is (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID1118617
Molecular FormulaC16H11Cl3N2O2
Molecular Weight369.64 g/mol
Exact Mass367.99
IUPAC Name(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2O2/c17-9-1-3-10(4-2-9)20-14-8-15(22)21(16(14)23)11-5-6-12(18)13(19)7-11/h1-7,14,20H,8H2/t14-/m0/s1
InChIKeyNJZLGCCEYJZWRH-AWEZNQCLSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
(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
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844934
4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 43844937
(3S)-1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)anilino]pyrrolidine-2,5-dione
CID 710161
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 1118617) is (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is NJZLGCCEYJZWRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2/c17-9-1-3-10(4-2-9)20-14-8-15(22)21(16(14)23)11-5-6-12(18)13(19)7-11/h1-7,14,20H,8H2/t14-/m0/s1.
What are the key properties of (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 369.64 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1118617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).