(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C17H14Cl2N2O3 — CID 51860130

IUPAC(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)cc1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-11-7-5-10(6-8-11)21-15(22)9-14(17(21)23)20-13-4-2-3-12(18)16(13)19/h2-8,14,20H,9H2,1H3/t14-/m0/s1
InChIKeyNIJDLGLOBNSYNV-AWEZNQCLSA-N
MW365.22 g/mol
LogP3.75
Rot. Bonds4

About (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 51860130) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID51860130
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)cc1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-11-7-5-10(6-8-11)21-15(22)9-14(17(21)23)20-13-4-2-3-12(18)16(13)19/h2-8,14,20H,9H2,1H3/t14-/m0/s1
InChIKeyNIJDLGLOBNSYNV-AWEZNQCLSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844624
(3S)-3-(2,3-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860190
(3R)-3-(2,3-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 98188196
(3R)-3-(2,3-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188111
(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235231
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 43844937
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
(3S)-3-(2,3-dichloroanilino)-1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 51860053
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
3-[2-(2-chlorophenyl)ethylamino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4106401

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 51860130) is (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)cc1.
What is the InChIKey of (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is NIJDLGLOBNSYNV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-24-11-7-5-10(6-8-11)21-15(22)9-14(17(21)23)20-13-4-2-3-12(18)16(13)19/h2-8,14,20H,9H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 365.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).