1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione

C18H18ClN3O2 — CID 4964154

IUPAC1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione
SMILESCN(CCc1ccccn1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H18ClN3O2/c1-21(11-9-14-4-2-3-10-20-14)16-12-17(23)22(18(16)24)15-7-5-13(19)6-8-15/h2-8,10,16H,9,11-12H2,1H3
InChIKeyLSMARVXLIZYPIP-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.54
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione (PubChem CID 4964154) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione
PubChem CID4964154
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione
SMILESCN(CCc1ccccn1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C18H18ClN3O2/c1-21(11-9-14-4-2-3-10-20-14)16-12-17(23)22(18(16)24)15-7-5-13(19)6-8-15/h2-8,10,16H,9,11-12H2,1H3
InChIKeyLSMARVXLIZYPIP-UHFFFAOYSA-N
XLogP2.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione (CID 4964154) is 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione is CN(CCc1ccccn1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione?
The InChIKey is LSMARVXLIZYPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-21(11-9-14-4-2-3-10-20-14)16-12-17(23)22(18(16)24)15-7-5-13(19)6-8-15/h2-8,10,16H,9,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione has a molecular weight of 343.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[methyl(2-pyridin-2-ylethyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 4964154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).