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

C17H15ClN2O2 — CID 51859864

IUPAC(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)C[C@H](Nc3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H15ClN2O2/c1-11-5-4-6-12(9-11)20-16(21)10-15(17(20)22)19-14-8-3-2-7-13(14)18/h2-9,15,19H,10H2,1H3/t15-/m0/s1
InChIKeyTWPZOBDRRKRLKE-HNNXBMFYSA-N
MW314.77 g/mol
LogP3.39
Rot. Bonds3

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

(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 51859864) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID51859864
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)C[C@H](Nc3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H15ClN2O2/c1-11-5-4-6-12(9-11)20-16(21)10-15(17(20)22)19-14-8-3-2-7-13(14)18/h2-9,15,19H,10H2,1H3/t15-/m0/s1
InChIKeyTWPZOBDRRKRLKE-HNNXBMFYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.39
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

3-(2-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163658
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
(3R)-3-(2-chloroanilino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 98187931
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 43844937
3-(4-hydroxyanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163644
1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 43844934
3-(2-fluoroanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844737
3-[3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827259
3-[3-(2-chloroanilino)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid
CID 43844287

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 51859864) is (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)C[C@H](Nc3ccccc3Cl)C2=O)c1.
What is the InChIKey of (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is TWPZOBDRRKRLKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-5-4-6-12(9-11)20-16(21)10-15(17(20)22)19-14-8-3-2-7-13(14)18/h2-9,15,19H,10H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 314.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51859864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).