(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

C17H15ClN2O3 — CID 98188137

IUPAC(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H15ClN2O3/c1-23-12-6-4-5-11(9-12)20-16(21)10-15(17(20)22)19-14-8-3-2-7-13(14)18/h2-9,15,19H,10H2,1H3/t15-/m1/s1
InChIKeyBGOFKGDKUCUPQF-OAHLLOKOSA-N
MW330.77 g/mol
LogP3.09
Rot. Bonds4

About (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 98188137) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID98188137
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c1
InChIInChI=1S/C17H15ClN2O3/c1-23-12-6-4-5-11(9-12)20-16(21)10-15(17(20)22)19-14-8-3-2-7-13(14)18/h2-9,15,19H,10H2,1H3/t15-/m1/s1
InChIKeyBGOFKGDKUCUPQF-OAHLLOKOSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.09
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

(3S)-3-(2-chloroanilino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 51859864
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106
3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844624
(3S)-3-(2,3-dichloroanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860130
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235231
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 98188137) is (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c1.
What is the InChIKey of (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is BGOFKGDKUCUPQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-23-12-6-4-5-11(9-12)20-16(21)10-15(17(20)22)19-14-8-3-2-7-13(14)18/h2-9,15,19H,10H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 330.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98188137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).