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

C17H14Cl2N2O3 — CID 93235214

IUPAC(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H14Cl2N2O3/c1-24-15-5-3-2-4-14(15)21-16(22)9-13(17(21)23)20-10-6-7-11(18)12(19)8-10/h2-8,13,20H,9H2,1H3/t13-/m1/s1
InChIKeyDTWGZAXGTWPSRF-CYBMUJFWSA-N
MW365.22 g/mol
LogP3.75
Rot. Bonds4

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

(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 93235214) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID93235214
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H14Cl2N2O3/c1-24-15-5-3-2-4-14(15)21-16(22)9-13(17(21)23)20-10-6-7-11(18)12(19)8-10/h2-8,13,20H,9H2,1H3/t13-/m1/s1
InChIKeyDTWGZAXGTWPSRF-CYBMUJFWSA-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

(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
(3R)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 51860142
(3S)-1-(2,3-dichlorophenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 51860344
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 17078305
(3S)-1-(2-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 710370
(3R)-1-(3-chloro-2-methylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylanilino)pyrrolidine-2,5-dione
CID 41153875
(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188169
3-(4-bromoanilino)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 43844787
(3R)-1-(2-chlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860269
3-(4-bromoanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 43844652

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione (CID 93235214) is (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is DTWGZAXGTWPSRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-24-15-5-3-2-4-14(15)21-16(22)9-13(17(21)23)20-10-6-7-11(18)12(19)8-10/h2-8,13,20H,9H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-(3,4-dichloroanilino)-1-(2-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 (3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 93235214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).