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

C17H14Cl2N2O3 — CID 51860115

IUPAC(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-12-4-2-3-11(8-12)21-16(22)9-15(17(21)23)20-10-5-6-13(18)14(19)7-10/h2-8,15,20H,9H2,1H3/t15-/m0/s1
InChIKeyBURGTDZJYJZZFM-HNNXBMFYSA-N
MW365.22 g/mol
LogP3.75
Rot. Bonds4

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

(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 51860115) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID51860115
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1
InChIInChI=1S/C17H14Cl2N2O3/c1-24-12-4-2-3-11(8-12)21-16(22)9-15(17(21)23)20-10-5-6-13(18)14(19)7-10/h2-8,15,20H,9H2,1H3/t15-/m0/s1
InChIKeyBURGTDZJYJZZFM-HNNXBMFYSA-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

1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
(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-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3S)-3-(4-chloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 1118617

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 51860115) is (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1.
What is the InChIKey of (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is BURGTDZJYJZZFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-24-12-4-2-3-11(8-12)21-16(22)9-15(17(21)23)20-10-5-6-13(18)14(19)7-10/h2-8,15,20H,9H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
(3S)-3-(3,4-dichloroanilino)-1-(3-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-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51860115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).