1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione

C13H15ClN2O2 — CID 65301903

IUPAC1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(Cl)cc2N)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-13(2)6-11(17)16(12(13)18)7-8-3-4-9(14)5-10(8)15/h3-5H,6-7,15H2,1-2H3
InChIKeyLFTBZOIFMSIYBH-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.21
Rot. Bonds2

About 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65301903) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65301903
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(Cl)cc2N)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-13(2)6-11(17)16(12(13)18)7-8-3-4-9(14)5-10(8)15/h3-5H,6-7,15H2,1-2H3
InChIKeyLFTBZOIFMSIYBH-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 117060733
3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 62100916
1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107347713
1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181701
1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297333
3-bromo-4-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 102774867
2-[(2-amino-4-chlorophenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512394
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79531067
1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490122
1-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 75502345
4-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 65301099
4-[(2-amino-4-chlorophenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062281

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65301903) is 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(Cc2ccc(Cl)cc2N)C1=O.
What is the InChIKey of 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is LFTBZOIFMSIYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-13(2)6-11(17)16(12(13)18)7-8-3-4-9(14)5-10(8)15/h3-5H,6-7,15H2,1-2H3.
What are the key properties of 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 266.73 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65301903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).