3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione

C20H21ClN2O2 — CID 42950201

IUPAC3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(N(C)Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C20H21ClN2O2/c1-13-6-4-7-14(2)19(13)23-18(24)11-17(20(23)25)22(3)12-15-8-5-9-16(21)10-15/h4-10,17H,11-12H2,1-3H3
InChIKeyJIIZRJHZCRWDNF-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.72
Rot. Bonds4

About 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione

3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione (PubChem CID 42950201) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
PubChem CID42950201
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(C)c1N1C(=O)CC(N(C)Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C20H21ClN2O2/c1-13-6-4-7-14(2)19(13)23-18(24)11-17(20(23)25)22(3)12-15-8-5-9-16(21)10-15/h4-10,17H,11-12H2,1-3H3
InChIKeyJIIZRJHZCRWDNF-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylphenyl)-3-[(4-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 24614711
N-[2-(3-chlorophenyl)ethyl]-2-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23803579
1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 662096
N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
CID 41389974
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 23803578
N-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 1364939
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-4-methylbenzamide
CID 23803625
(3R)-3-[benzyl(methyl)amino]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 754275
(3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione
CID 95934847
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
CID 23802024

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione (CID 42950201) is 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione is Cc1cccc(C)c1N1C(=O)CC(N(C)Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
The InChIKey is JIIZRJHZCRWDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-6-4-7-14(2)19(13)23-18(24)11-17(20(23)25)22(3)12-15-8-5-9-16(21)10-15/h4-10,17H,11-12H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione?
3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione has a molecular weight of 356.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl-methylamino]-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 42950201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).