(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

C18H17ClN2O3 — CID 2085481

IUPAC(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H17ClN2O3/c1-11-3-6-13(7-4-11)21-17(22)10-15(18(21)23)20-14-9-12(19)5-8-16(14)24-2/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1
InChIKeyMVSCDUJDRCSTPF-OAHLLOKOSA-N
MW344.80 g/mol
LogP3.40
Rot. Bonds4

About (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2085481) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2085481
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H17ClN2O3/c1-11-3-6-13(7-4-11)21-17(22)10-15(18(21)23)20-14-9-12(19)5-8-16(14)24-2/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1
InChIKeyMVSCDUJDRCSTPF-OAHLLOKOSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.40
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

(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360
(3S)-3-(3-chloroanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 8933099
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
(3S)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51859833
(3R)-3-(2,4-dichloroanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 98188112
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191
(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2440458
(3R)-1-(4-chlorophenyl)-3-(2-ethoxyanilino)pyrrolidine-2,5-dione
CID 51860298
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 2085481) is (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is COc1ccc(Cl)cc1N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is MVSCDUJDRCSTPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-3-6-13(7-4-11)21-17(22)10-15(18(21)23)20-14-9-12(19)5-8-16(14)24-2/h3-9,15,20H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 344.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2085481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).