1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one

C25H25ClN2O — CID 71556470

IUPAC1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one
SMILESCN(C)CC1(c2ccccc2)C(=O)N(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C25H25ClN2O/c1-27(2)18-25(20-11-7-4-8-12-20)23(19-9-5-3-6-10-19)17-28(24(25)29)22-15-13-21(26)14-16-22/h3-16,23H,17-18H2,1-2H3
InChIKeyKUIOWTZMJHZFEH-UHFFFAOYSA-N
MW404.94 g/mol
LogP4.97
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one

1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one (PubChem CID 71556470) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one
PubChem CID71556470
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC Name1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one
SMILESCN(C)CC1(c2ccccc2)C(=O)N(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C25H25ClN2O/c1-27(2)18-25(20-11-7-4-8-12-20)23(19-9-5-3-6-10-19)17-28(24(25)29)22-15-13-21(26)14-16-22/h3-16,23H,17-18H2,1-2H3
InChIKeyKUIOWTZMJHZFEH-UHFFFAOYSA-N
XLogP4.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one (CID 71556470) is 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one is CN(C)CC1(c2ccccc2)C(=O)N(c2ccc(Cl)cc2)CC1c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one?
The InChIKey is KUIOWTZMJHZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c1-27(2)18-25(20-11-7-4-8-12-20)23(19-9-5-3-6-10-19)17-28(24(25)29)22-15-13-21(26)14-16-22/h3-16,23H,17-18H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one?
1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one has a molecular weight of 404.94 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(dimethylamino)methyl]-3,4-diphenylpyrrolidin-2-one is sourced from PubChem (CID 71556470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).