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

C17H15ClN2O2 — CID 8933099

IUPAC(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-5-7-14(8-6-11)20-16(21)10-15(17(20)22)19-13-4-2-3-12(18)9-13/h2-9,15,19H,10H2,1H3/t15-/m0/s1
InChIKeyHJAYICLMTBKFAR-HNNXBMFYSA-N
MW314.77 g/mol
LogP3.39
Rot. Bonds3

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

(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 8933099) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID8933099
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-5-7-14(8-6-11)20-16(21)10-15(17(20)22)19-13-4-2-3-12(18)9-13/h2-9,15,19H,10H2,1H3/t15-/m0/s1
InChIKeyHJAYICLMTBKFAR-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

(3R)-3-(3-chloroanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7410238
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
1-[3-[[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]-3-phenylthiourea
CID 99129880
(3R)-3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 92528251
3-(4-methylanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 19163694
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
(3S)-1-(2-bromophenyl)-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 51860316
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 8933099) is (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is HJAYICLMTBKFAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-5-7-14(8-6-11)20-16(21)10-15(17(20)22)19-13-4-2-3-12(18)9-13/h2-9,15,19H,10H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
(3S)-3-(3-chloroanilino)-1-(4-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-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 8933099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).