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

C13H15ClN2O2 — CID 79181701

IUPAC1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2ccc(Cl)cc2N)C(=O)C1C
InChIInChI=1S/C13H15ClN2O2/c1-7-8(2)13(18)16(12(7)17)6-9-3-4-10(14)5-11(9)15/h3-5,7-8H,6,15H2,1-2H3
InChIKeyXAUNRPWZIWLXQP-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.06
Rot. Bonds2

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

1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79181701) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79181701
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(Cc2ccc(Cl)cc2N)C(=O)C1C
InChIInChI=1S/C13H15ClN2O2/c1-7-8(2)13(18)16(12(7)17)6-9-3-4-10(14)5-11(9)15/h3-5,7-8H,6,15H2,1-2H3
InChIKeyXAUNRPWZIWLXQP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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

2-[(2-amino-4-chlorophenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512394
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
5-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79187911
3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 62100916
1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301903
4-[(2-amino-4-chlorophenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062281
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073
1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490122
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181278
1-[(2-amino-4-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130605
(1R,2S)-4-[(2,4-dichlorophenyl)methyl]-2-methyl-1-oxo-1,4-thiazinane-3,5-dione
CID 40558206

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79181701) is 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(Cc2ccc(Cl)cc2N)C(=O)C1C.
What is the InChIKey of 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is XAUNRPWZIWLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-7-8(2)13(18)16(12(7)17)6-9-3-4-10(14)5-11(9)15/h3-5,7-8H,6,15H2,1-2H3.
What are the key properties of 1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(2-amino-4-chlorophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 266.73 g/mol, XLogP of 2.06, 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]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79181701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).